N-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine

C18H29NO — CID 103433380

IUPACN-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1OC)C1CCCCC1
InChIInChI=1S/C18H29NO/c1-5-19-17(15-9-7-6-8-10-15)16-12-11-13(2)14(3)18(16)20-4/h11-12,15,17,19H,5-10H2,1-4H3
InChIKeyKXBMCMWPAJNATG-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.54
Rot. Bonds5

About N-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine

N-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine (PubChem CID 103433380) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine
PubChem CID103433380
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1OC)C1CCCCC1
InChIInChI=1S/C18H29NO/c1-5-19-17(15-9-7-6-8-10-15)16-12-11-13(2)14(3)18(16)20-4/h11-12,15,17,19H,5-10H2,1-4H3
InChIKeyKXBMCMWPAJNATG-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[cycloheptyl-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103435988
N-[(2-methoxy-3,4-dimethylphenyl)-(thiolan-3-yl)methyl]ethanamine
CID 103435388
N-[(2-methoxy-3,4-dimethylphenyl)-(oxolan-2-yl)methyl]ethanamine
CID 103433591
N-[(2-methoxy-3,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 103433620
N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 65018169
N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine
CID 60787800
N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 105027735
N-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine
CID 64986462
N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 55187562
N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 63503561
N-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103435492
N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine
CID 105157205

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine (CID 103433380) is N-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine is CCNC(c1ccc(C)c(C)c1OC)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine?
The InChIKey is KXBMCMWPAJNATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-19-17(15-9-7-6-8-10-15)16-12-11-13(2)14(3)18(16)20-4/h11-12,15,17,19H,5-10H2,1-4H3.
What are the key properties of N-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine?
N-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 103433380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).