N-[[3-methyl-1-(3-phenylpropoxy)cyclohexyl]methyl]ethanamine

C19H31NO — CID 63473773

IUPACN-[[3-methyl-1-(3-phenylpropoxy)cyclohexyl]methyl]ethanamine
SMILESCCNCC1(OCCCc2ccccc2)CCCC(C)C1
InChIInChI=1S/C19H31NO/c1-3-20-16-19(13-7-9-17(2)15-19)21-14-8-12-18-10-5-4-6-11-18/h4-6,10-11,17,20H,3,7-9,12-16H2,1-2H3
InChIKeyCXHGZEWFFITBGM-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.19
Rot. Bonds8

About N-[[3-methyl-1-(3-phenylpropoxy)cyclohexyl]methyl]ethanamine

N-[[3-methyl-1-(3-phenylpropoxy)cyclohexyl]methyl]ethanamine (PubChem CID 63473773) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[[3-methyl-1-(3-phenylpropoxy)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methyl-1-(3-phenylpropoxy)cyclohexyl]methyl]ethanamine
PubChem CID63473773
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[[3-methyl-1-(3-phenylpropoxy)cyclohexyl]methyl]ethanamine
SMILESCCNCC1(OCCCc2ccccc2)CCCC(C)C1
InChIInChI=1S/C19H31NO/c1-3-20-16-19(13-7-9-17(2)15-19)21-14-8-12-18-10-5-4-6-11-18/h4-6,10-11,17,20H,3,7-9,12-16H2,1-2H3
InChIKeyCXHGZEWFFITBGM-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[3-methyl-1-(3-phenylpropoxy)cyclohexyl]methyl]ethanamine 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

N-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine
CID 63473709
N-[[1-[(4-bromophenyl)methoxy]-3-methylcyclohexyl]methyl]ethanamine
CID 82831969
N-[[1-[2-(2-methoxyethoxy)ethoxy]-3-methylcyclohexyl]methyl]ethanamine
CID 104565665
N-[(3-methyl-1-propan-2-yloxycyclohexyl)methyl]ethanamine
CID 62110098
N-[[1-(cyclohexylmethoxy)-3-methylcyclohexyl]methyl]ethanamine
CID 63474493
N-[[3-methyl-1-(1-phenylethoxy)cyclohexyl]methyl]propan-1-amine
CID 63474271
N-[[1-[(3-chlorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-1-amine
CID 65124692
N-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine
CID 62109925
3-[1-(iodomethyl)cyclopentyl]oxypropylbenzene
CID 114773849
3-[1-(bromomethyl)-4-ethylcyclohexyl]oxypropylbenzene
CID 63474419
[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol
CID 55086844
1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol
CID 116755271

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-1-(3-phenylpropoxy)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[3-methyl-1-(3-phenylpropoxy)cyclohexyl]methyl]ethanamine (CID 63473773) is N-[[3-methyl-1-(3-phenylpropoxy)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methyl-1-(3-phenylpropoxy)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[3-methyl-1-(3-phenylpropoxy)cyclohexyl]methyl]ethanamine is CCNCC1(OCCCc2ccccc2)CCCC(C)C1.
What is the InChIKey of N-[[3-methyl-1-(3-phenylpropoxy)cyclohexyl]methyl]ethanamine?
The InChIKey is CXHGZEWFFITBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-20-16-19(13-7-9-17(2)15-19)21-14-8-12-18-10-5-4-6-11-18/h4-6,10-11,17,20H,3,7-9,12-16H2,1-2H3.
What are the key properties of N-[[3-methyl-1-(3-phenylpropoxy)cyclohexyl]methyl]ethanamine?
N-[[3-methyl-1-(3-phenylpropoxy)cyclohexyl]methyl]ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-1-(3-phenylpropoxy)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 63473773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).