1-N-[(2,4-dimethoxy-6-methylphenyl)methyl]cyclopentane-1,2-diamine

C15H24N2O2 — CID 115117437

IUPAC1-N-[(2,4-dimethoxy-6-methylphenyl)methyl]cyclopentane-1,2-diamine
SMILESCOc1cc(C)c(CNC2CCCC2N)c(OC)c1
InChIInChI=1S/C15H24N2O2/c1-10-7-11(18-2)8-15(19-3)12(10)9-17-14-6-4-5-13(14)16/h7-8,13-14,17H,4-6,9,16H2,1-3H3
InChIKeyCJFZPILLFMXUPS-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.98
Rot. Bonds5

About 1-N-[(2,4-dimethoxy-6-methylphenyl)methyl]cyclopentane-1,2-diamine

1-N-[(2,4-dimethoxy-6-methylphenyl)methyl]cyclopentane-1,2-diamine (PubChem CID 115117437) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-N-[(2,4-dimethoxy-6-methylphenyl)methyl]cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2,4-dimethoxy-6-methylphenyl)methyl]cyclopentane-1,2-diamine
PubChem CID115117437
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-N-[(2,4-dimethoxy-6-methylphenyl)methyl]cyclopentane-1,2-diamine
SMILESCOc1cc(C)c(CNC2CCCC2N)c(OC)c1
InChIInChI=1S/C15H24N2O2/c1-10-7-11(18-2)8-15(19-3)12(10)9-17-14-6-4-5-13(14)16/h7-8,13-14,17H,4-6,9,16H2,1-3H3
InChIKeyCJFZPILLFMXUPS-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine
CID 82493926
N-[(2,4-dimethoxy-6-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208846
N'-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198564
2-cyclopentyl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 60733123
N-[(2,4,6-trimethoxyphenyl)methyl]thian-4-amine
CID 115584471
N-[(2,4-dimethoxy-6-methylphenyl)methyl]carbamoyl chloride
CID 115194702
1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene
CID 116932273
[2-[(2,4-dimethoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700479
1-N-[2-(3-methoxyphenyl)-2-methylpropyl]cyclopentane-1,2-diamine
CID 115117745
2,2,3,3-tetramethyl-N-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine
CID 79351463
2-[(2,4-dimethoxy-6-methylphenyl)methylamino]propanenitrile
CID 115130211
(E)-4-[(2,4-dimethoxy-6-methylphenyl)methylamino]but-2-enoic acid
CID 115237156

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2,4-dimethoxy-6-methylphenyl)methyl]cyclopentane-1,2-diamine?
The IUPAC name of 1-N-[(2,4-dimethoxy-6-methylphenyl)methyl]cyclopentane-1,2-diamine (CID 115117437) is 1-N-[(2,4-dimethoxy-6-methylphenyl)methyl]cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-[(2,4-dimethoxy-6-methylphenyl)methyl]cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-[(2,4-dimethoxy-6-methylphenyl)methyl]cyclopentane-1,2-diamine is COc1cc(C)c(CNC2CCCC2N)c(OC)c1.
What is the InChIKey of 1-N-[(2,4-dimethoxy-6-methylphenyl)methyl]cyclopentane-1,2-diamine?
The InChIKey is CJFZPILLFMXUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-7-11(18-2)8-15(19-3)12(10)9-17-14-6-4-5-13(14)16/h7-8,13-14,17H,4-6,9,16H2,1-3H3.
What are the key properties of 1-N-[(2,4-dimethoxy-6-methylphenyl)methyl]cyclopentane-1,2-diamine?
1-N-[(2,4-dimethoxy-6-methylphenyl)methyl]cyclopentane-1,2-diamine has a molecular weight of 264.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2,4-dimethoxy-6-methylphenyl)methyl]cyclopentane-1,2-diamine is sourced from PubChem (CID 115117437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).