1-N-[2-(3-methoxyphenyl)-2-methylpropyl]cyclopentane-1,2-diamine

C16H26N2O — CID 115117745

IUPAC1-N-[2-(3-methoxyphenyl)-2-methylpropyl]cyclopentane-1,2-diamine
SMILESCOc1cccc(C(C)(C)CNC2CCCC2N)c1
InChIInChI=1S/C16H26N2O/c1-16(2,11-18-15-9-5-8-14(15)17)12-6-4-7-13(10-12)19-3/h4,6-7,10,14-15,18H,5,8-9,11,17H2,1-3H3
InChIKeyKVJXVJOZALVFHY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.44
Rot. Bonds5

About 1-N-[2-(3-methoxyphenyl)-2-methylpropyl]cyclopentane-1,2-diamine

1-N-[2-(3-methoxyphenyl)-2-methylpropyl]cyclopentane-1,2-diamine (PubChem CID 115117745) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-N-[2-(3-methoxyphenyl)-2-methylpropyl]cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(3-methoxyphenyl)-2-methylpropyl]cyclopentane-1,2-diamine
PubChem CID115117745
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-N-[2-(3-methoxyphenyl)-2-methylpropyl]cyclopentane-1,2-diamine
SMILESCOc1cccc(C(C)(C)CNC2CCCC2N)c1
InChIInChI=1S/C16H26N2O/c1-16(2,11-18-15-9-5-8-14(15)17)12-6-4-7-13(10-12)19-3/h4,6-7,10,14-15,18H,5,8-9,11,17H2,1-3H3
InChIKeyKVJXVJOZALVFHY-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]cyclopentane-1,2-diamine
CID 115117729
N-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81022096
1-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]cyclopentane-1,2-diamine
CID 115117726
3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine
CID 115135089
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
N'-[2-(3-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine
CID 115201631
N'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine
CID 115198963
2-[(2-methyl-2-phenylpropyl)amino]cyclopentan-1-ol
CID 54886223
[2-(3-methoxyphenyl)-2-methylpropyl]carbamothioic S-acid
CID 115170588
1-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 82236080
2-(3-methoxyphenoxy)cyclopentan-1-amine
CID 16796159
2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62605139

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(3-methoxyphenyl)-2-methylpropyl]cyclopentane-1,2-diamine?
The IUPAC name of 1-N-[2-(3-methoxyphenyl)-2-methylpropyl]cyclopentane-1,2-diamine (CID 115117745) is 1-N-[2-(3-methoxyphenyl)-2-methylpropyl]cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(3-methoxyphenyl)-2-methylpropyl]cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-[2-(3-methoxyphenyl)-2-methylpropyl]cyclopentane-1,2-diamine is COc1cccc(C(C)(C)CNC2CCCC2N)c1.
What is the InChIKey of 1-N-[2-(3-methoxyphenyl)-2-methylpropyl]cyclopentane-1,2-diamine?
The InChIKey is KVJXVJOZALVFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,11-18-15-9-5-8-14(15)17)12-6-4-7-13(10-12)19-3/h4,6-7,10,14-15,18H,5,8-9,11,17H2,1-3H3.
What are the key properties of 1-N-[2-(3-methoxyphenyl)-2-methylpropyl]cyclopentane-1,2-diamine?
1-N-[2-(3-methoxyphenyl)-2-methylpropyl]cyclopentane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(3-methoxyphenyl)-2-methylpropyl]cyclopentane-1,2-diamine is sourced from PubChem (CID 115117745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).