1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine

C15H24N2O — CID 79468311

IUPAC1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
SMILESCOc1cccc(CN(C)C2CCCC(N)C2)c1
InChIInChI=1S/C15H24N2O/c1-17(14-7-4-6-13(16)10-14)11-12-5-3-8-15(9-12)18-2/h3,5,8-9,13-14H,4,6-7,10-11,16H2,1-2H3
InChIKeyVQMPAUULHPPXFE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.40
Rot. Bonds4

About 1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine

1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine (PubChem CID 79468311) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
PubChem CID79468311
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
SMILESCOc1cccc(CN(C)C2CCCC(N)C2)c1
InChIInChI=1S/C15H24N2O/c1-17(14-7-4-6-13(16)10-14)11-12-5-3-8-15(9-12)18-2/h3,5,8-9,13-14H,4,6-7,10-11,16H2,1-2H3
InChIKeyVQMPAUULHPPXFE-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 61420564
N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 129034350
4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79119525
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61419887
N-[(3-methoxyphenyl)methyl]-N-methyltricyclo[5.2.1.02,6]decan-8-amine
CID 72609978
1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
CID 79468037
4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 115149922
N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 75386810
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62708961
N-(2-chloroethyl)-N-[(3-methoxyphenyl)methyl]cyclohexanamine
CID 63386912
3-[[(3-aminocyclopentyl)-methylamino]methyl]benzonitrile
CID 79469055
N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 43137618

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine (CID 79468311) is 1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine is COc1cccc(CN(C)C2CCCC(N)C2)c1.
What is the InChIKey of 1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine?
The InChIKey is VQMPAUULHPPXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(14-7-4-6-13(16)10-14)11-12-5-3-8-15(9-12)18-2/h3,5,8-9,13-14H,4,6-7,10-11,16H2,1-2H3.
What are the key properties of 1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine?
1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine is sourced from PubChem (CID 79468311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).