4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine

C16H26N2O — CID 115149862

IUPAC4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine
SMILESCOc1ccc(CCNC2CCC(N)CC2)cc1C
InChIInChI=1S/C16H26N2O/c1-12-11-13(3-8-16(12)19-2)9-10-18-15-6-4-14(17)5-7-15/h3,8,11,14-15,18H,4-7,9-10,17H2,1-2H3
InChIKeyROTBWRXJSAUJJE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.41
Rot. Bonds5

About 4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine

4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine (PubChem CID 115149862) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine
PubChem CID115149862
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine
SMILESCOc1ccc(CCNC2CCC(N)CC2)cc1C
InChIInChI=1S/C16H26N2O/c1-12-11-13(3-8-16(12)19-2)9-10-18-15-6-4-14(17)5-7-15/h3,8,11,14-15,18H,4-7,9-10,17H2,1-2H3
InChIKeyROTBWRXJSAUJJE-UHFFFAOYSA-N
XLogP2.41
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N'-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115207128
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine
CID 94682821
N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine
CID 62551613
4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol
CID 43233134
N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine
CID 43608339
N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide
CID 98015785
N-[4-(4-methoxy-3-methylphenyl)butan-2-yl]cyclopropanamine
CID 112518040
cis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
CID 30979844
N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine
CID 106818906
N-(hydrazinylmethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 115261071
N-[(4-methoxy-3-methylphenyl)methyl]cyclopent-3-en-1-amine
CID 115696394
4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314200

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine (CID 115149862) is 4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine is COc1ccc(CCNC2CCC(N)CC2)cc1C.
What is the InChIKey of 4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine?
The InChIKey is ROTBWRXJSAUJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-11-13(3-8-16(12)19-2)9-10-18-15-6-4-14(17)5-7-15/h3,8,11,14-15,18H,4-7,9-10,17H2,1-2H3.
What are the key properties of 4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine?
4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 115149862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).