N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine

C18H29NO — CID 65313720

IUPACN-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1C)C1CCCC(C)C1
InChIInChI=1S/C18H29NO/c1-5-19-18(15-8-6-7-13(2)11-15)17-10-9-16(20-4)12-14(17)3/h9-10,12-13,15,18-19H,5-8,11H2,1-4H3
InChIKeyTYIRRTVBEBLEFS-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.48
Rot. Bonds5

About N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine

N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine (PubChem CID 65313720) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
PubChem CID65313720
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1C)C1CCCC(C)C1
InChIInChI=1S/C18H29NO/c1-5-19-18(15-8-6-7-13(2)11-15)17-10-9-16(20-4)12-14(17)3/h9-10,12-13,15,18-19H,5-8,11H2,1-4H3
InChIKeyTYIRRTVBEBLEFS-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276557
N-[(4-methoxy-2-methylphenyl)-(5-methyloxolan-2-yl)methyl]ethanamine
CID 81330427
N-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 81301647
N-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
CID 107177371
N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104992020
N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine
CID 60787800
N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 63503561
N-[(1,1-dioxothian-2-yl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
CID 104518589
N-[cyclopentyl-(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43489527
1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 55091680
N-[(3-ethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 65410252
2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83153801

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine (CID 65313720) is N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine is CCNC(c1ccc(OC)cc1C)C1CCCC(C)C1.
What is the InChIKey of N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine?
The InChIKey is TYIRRTVBEBLEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-19-18(15-8-6-7-13(2)11-15)17-10-9-16(20-4)12-14(17)3/h9-10,12-13,15,18-19H,5-8,11H2,1-4H3.
What are the key properties of N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine?
N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 65313720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).