4-N-[(3,5-dimethoxyphenyl)methyl]cyclohexane-1,4-diamine

C15H24N2O2 — CID 62314391

IUPAC4-N-[(3,5-dimethoxyphenyl)methyl]cyclohexane-1,4-diamine
SMILESCOc1cc(CNC2CCC(N)CC2)cc(OC)c1
InChIInChI=1S/C15H24N2O2/c1-18-14-7-11(8-15(9-14)19-2)10-17-13-5-3-12(16)4-6-13/h7-9,12-13,17H,3-6,10,16H2,1-2H3
InChIKeyDYAZFIDKEUOFEJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.06
Rot. Bonds5

About 4-N-[(3,5-dimethoxyphenyl)methyl]cyclohexane-1,4-diamine

4-N-[(3,5-dimethoxyphenyl)methyl]cyclohexane-1,4-diamine (PubChem CID 62314391) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-N-[(3,5-dimethoxyphenyl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(3,5-dimethoxyphenyl)methyl]cyclohexane-1,4-diamine
PubChem CID62314391
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-N-[(3,5-dimethoxyphenyl)methyl]cyclohexane-1,4-diamine
SMILESCOc1cc(CNC2CCC(N)CC2)cc(OC)c1
InChIInChI=1S/C15H24N2O2/c1-18-14-7-11(8-15(9-14)19-2)10-17-13-5-3-12(16)4-6-13/h7-9,12-13,17H,3-6,10,16H2,1-2H3
InChIKeyDYAZFIDKEUOFEJ-UHFFFAOYSA-N
XLogP2.06
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62312789
N-[[3-methoxy-5-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 59817672
4-[[(4-aminocyclohexyl)amino]methyl]-2,6-dimethylphenol
CID 55062333
4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol
CID 62312790
4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314200
(2S)-N-[(3,5-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983162
N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine
CID 106533367
4-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62319975
N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine
CID 79891880
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105
cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 6962836
N-cyclopentyloxy-1-(3,5-dimethoxyphenyl)methanamine
CID 83229472

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3,5-dimethoxyphenyl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(3,5-dimethoxyphenyl)methyl]cyclohexane-1,4-diamine (CID 62314391) is 4-N-[(3,5-dimethoxyphenyl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(3,5-dimethoxyphenyl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(3,5-dimethoxyphenyl)methyl]cyclohexane-1,4-diamine is COc1cc(CNC2CCC(N)CC2)cc(OC)c1.
What is the InChIKey of 4-N-[(3,5-dimethoxyphenyl)methyl]cyclohexane-1,4-diamine?
The InChIKey is DYAZFIDKEUOFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-18-14-7-11(8-15(9-14)19-2)10-17-13-5-3-12(16)4-6-13/h7-9,12-13,17H,3-6,10,16H2,1-2H3.
What are the key properties of 4-N-[(3,5-dimethoxyphenyl)methyl]cyclohexane-1,4-diamine?
4-N-[(3,5-dimethoxyphenyl)methyl]cyclohexane-1,4-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3,5-dimethoxyphenyl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 62314391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).