N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine

C18H29NO2 — CID 43496062

IUPACN-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1OC)C1CCCCC1
InChIInChI=1S/C18H29NO2/c1-4-12-19-18(14-8-6-5-7-9-14)16-11-10-15(20-2)13-17(16)21-3/h10-11,13-14,18-19H,4-9,12H2,1-3H3
InChIKeyBGKZNGLMOYKHKT-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.32
Rot. Bonds7

About N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine

N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine (PubChem CID 43496062) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine
PubChem CID43496062
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1OC)C1CCCCC1
InChIInChI=1S/C18H29NO2/c1-4-12-19-18(14-8-6-5-7-9-14)16-11-10-15(20-2)13-17(16)21-3/h10-11,13-14,18-19H,4-9,12H2,1-3H3
InChIKeyBGKZNGLMOYKHKT-UHFFFAOYSA-N
XLogP4.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-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

N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981230
N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561568
N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 63501845
N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine
CID 115863794
N-[cyclopentyl-(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43489527
N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine
CID 60787800
N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 63503561
N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine
CID 43493938
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine
CID 43189974
N-[cycloheptyl-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105027707
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine (CID 43496062) is N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine is CCCNC(c1ccc(OC)cc1OC)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine?
The InChIKey is BGKZNGLMOYKHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-12-19-18(14-8-6-5-7-9-14)16-11-10-15(20-2)13-17(16)21-3/h10-11,13-14,18-19H,4-9,12H2,1-3H3.
What are the key properties of N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine?
N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43496062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).