4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine

C16H26N2O — CID 115149922

IUPAC4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCOc1cccc(CCN(C)C2CCC(N)CC2)c1
InChIInChI=1S/C16H26N2O/c1-18(15-8-6-14(17)7-9-15)11-10-13-4-3-5-16(12-13)19-2/h3-5,12,14-15H,6-11,17H2,1-2H3
InChIKeyLYUFOZQJHXNFJM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.44
Rot. Bonds5

About 4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine

4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine (PubChem CID 115149922) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
PubChem CID115149922
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCOc1cccc(CCN(C)C2CCC(N)CC2)c1
InChIInChI=1S/C16H26N2O/c1-18(15-8-6-14(17)7-9-15)11-10-13-4-3-5-16(12-13)19-2/h3-5,12,14-15H,6-11,17H2,1-2H3
InChIKeyLYUFOZQJHXNFJM-UHFFFAOYSA-N
XLogP2.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 115207956
1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
CID 79468311
N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 129034350
4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121517
4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
CID 79121272
N,N-diethyl-2-(3-methoxyphenyl)ethanamine
CID 69380986
4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine
CID 117041341
1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 82158725
N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 115191366
4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79119525
4-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 79115451
4-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-N-[(3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 23818696

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine (CID 115149922) is 4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine is COc1cccc(CCN(C)C2CCC(N)CC2)c1.
What is the InChIKey of 4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is LYUFOZQJHXNFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(15-8-6-14(17)7-9-15)11-10-13-4-3-5-16(12-13)19-2/h3-5,12,14-15H,6-11,17H2,1-2H3.
What are the key properties of 4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine?
4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 115149922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).