N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]-3-methoxy-N-methylaniline

C17H28N2O — CID 64762934

IUPACN-[1-(aminomethyl)-2,5-dimethylcyclohexyl]-3-methoxy-N-methylaniline
SMILESCOc1cccc(N(C)C2(CN)CC(C)CCC2C)c1
InChIInChI=1S/C17H28N2O/c1-13-8-9-14(2)17(11-13,12-18)19(3)15-6-5-7-16(10-15)20-4/h5-7,10,13-14H,8-9,11-12,18H2,1-4H3
InChIKeyVBBBROMRZCBRTN-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.29
Rot. Bonds4

About N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]-3-methoxy-N-methylaniline

N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]-3-methoxy-N-methylaniline (PubChem CID 64762934) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]-3-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2,5-dimethylcyclohexyl]-3-methoxy-N-methylaniline
PubChem CID64762934
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[1-(aminomethyl)-2,5-dimethylcyclohexyl]-3-methoxy-N-methylaniline
SMILESCOc1cccc(N(C)C2(CN)CC(C)CCC2C)c1
InChIInChI=1S/C17H28N2O/c1-13-8-9-14(2)17(11-13,12-18)19(3)15-6-5-7-16(10-15)20-4/h5-7,10,13-14H,8-9,11-12,18H2,1-4H3
InChIKeyVBBBROMRZCBRTN-UHFFFAOYSA-N
XLogP3.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-3-methoxy-N-methylaniline
CID 64751072
N-[1-(aminomethyl)cyclopropyl]-3-methoxy-N-methylaniline
CID 106661172
1-(3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol
CID 64756237
N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-3-fluoro-N-methylaniline
CID 64762944
(1S,2S,5S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-5-methylcyclohexan-1-ol;hydrochloride
CID 70216938
1-amino-N-(3-methoxyphenyl)-N,3-dimethylcyclohexane-1-carboxamide
CID 64553181
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
[2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293897
N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline
CID 79479150
N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine
CID 43319153
1-(3-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 60795197

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]-3-methoxy-N-methylaniline?
The IUPAC name of N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]-3-methoxy-N-methylaniline (CID 64762934) is N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]-3-methoxy-N-methylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]-3-methoxy-N-methylaniline?
The canonical SMILES for N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]-3-methoxy-N-methylaniline is COc1cccc(N(C)C2(CN)CC(C)CCC2C)c1.
What is the InChIKey of N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]-3-methoxy-N-methylaniline?
The InChIKey is VBBBROMRZCBRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-8-9-14(2)17(11-13,12-18)19(3)15-6-5-7-16(10-15)20-4/h5-7,10,13-14H,8-9,11-12,18H2,1-4H3.
What are the key properties of N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]-3-methoxy-N-methylaniline?
N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]-3-methoxy-N-methylaniline has a molecular weight of 276.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]-3-methoxy-N-methylaniline is sourced from PubChem (CID 64762934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).