N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine

C34H44N4O2 — CID 142229717

IUPACN-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
SMILESCOc1cccc(CNCC2CCC(C)CC2)c1OCc1ccccc1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C23H31NO2.C11H13N3/c1-18-11-13-19(14-12-18)15-24-16-21-9-6-10-22(25-2)23(21)26-17-20-7-4-3-5-8-20;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h3-10,18-19,24H,11-17H2,1-2H3;4-7H,1-3H3
InChIKeyHROKIMNWEKHANG-UHFFFAOYSA-N
MW540.75 g/mol
LogP7.19
Rot. Bonds9

About N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine

N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine (PubChem CID 142229717) has the molecular formula C34H44N4O2 and a molecular weight of 540.75 g/mol. Its IUPAC name is N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
PubChem CID142229717
Molecular FormulaC34H44N4O2
Molecular Weight540.75 g/mol
Exact Mass540.35
IUPAC NameN-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
SMILESCOc1cccc(CNCC2CCC(C)CC2)c1OCc1ccccc1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C23H31NO2.C11H13N3/c1-18-11-13-19(14-12-18)15-24-16-21-9-6-10-22(25-2)23(21)26-17-20-7-4-3-5-8-20;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h3-10,18-19,24H,11-17H2,1-2H3;4-7H,1-3H3
InChIKeyHROKIMNWEKHANG-UHFFFAOYSA-N
XLogP7.19
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.75
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142229295
1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine
CID 142229379
N-[[4-(difluoromethyl)phenyl]methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230510
2-[[(4-ethylcyclohexyl)methylamino]methyl]-6-methylphenol;N,N,2-trimethylquinazolin-4-amine
CID 142230775
2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine
CID 142230922
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230633
1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine
CID 142230066
N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230001
1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142230163
4-[(4-methylcyclohexyl)methylamino]-1-phenylbutan-1-ol;N,N,2-trimethylquinazolin-4-amine
CID 142228945
N-[(4-methylcyclohexyl)methyl]-2-(2,3,6-trichlorophenyl)ethanamine;N,N,2-trimethylquinazolin-4-amine
CID 142228957
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 7248431

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine?
The IUPAC name of N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine (CID 142229717) is N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine.
What is the SMILES notation for N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine?
The canonical SMILES for N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine is COc1cccc(CNCC2CCC(C)CC2)c1OCc1ccccc1.Cc1nc(N(C)C)c2ccccc2n1.
What is the InChIKey of N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine?
The InChIKey is HROKIMNWEKHANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2.C11H13N3/c1-18-11-13-19(14-12-18)15-24-16-21-9-6-10-22(25-2)23(21)26-17-20-7-4-3-5-8-20;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h3-10,18-19,24H,11-17H2,1-2H3;4-7H,1-3H3.
What are the key properties of N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine?
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine has a molecular weight of 540.75 g/mol, XLogP of 7.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine is sourced from PubChem (CID 142229717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).