1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine

C12H17ClN2 — CID 115117343

IUPAC1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine
SMILESNC1CCCC1NCc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2/c13-10-6-4-9(5-7-10)8-15-12-3-1-2-11(12)14/h4-7,11-12,15H,1-3,8,14H2
InChIKeyKEHNPCXDVOZHNT-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.31
Rot. Bonds3

About 1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine

1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine (PubChem CID 115117343) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine
PubChem CID115117343
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine
SMILESNC1CCCC1NCc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2/c13-10-6-4-9(5-7-10)8-15-12-3-1-2-11(12)14/h4-7,11-12,15H,1-3,8,14H2
InChIKeyKEHNPCXDVOZHNT-UHFFFAOYSA-N
XLogP2.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-N-[[4-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenyl]methyl]cyclohexane-1,2-diamine;tetrahydrochloride
CID 139241263
1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine
CID 51040605
2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol
CID 60901146
1-N-(1H-pyrrol-3-ylmethyl)cyclopentane-1,2-diamine
CID 115117395
trans-(1R,2R)-2-N-[(4-trimethoxysilylphenyl)methyl]cyclohexane-1,2-diamine
CID 102179234
2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 64823496
trans-(1R,2R)-2-N-[(3-chloropyrazin-2-yl)methyl]cyclohexane-1,2-diamine
CID 97165309
1-[4-[[(2-aminocyclohexyl)amino]methyl]phenyl]pyridin-2-one
CID 69439256
1-N-(1,3-benzoxazol-6-ylmethyl)cyclopentane-1,2-diamine
CID 115117420
trans-(1R,2R)-1-N-[(4-chlorophenyl)methyl]-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine
CID 102435304
(2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 97358120
2-[(4-chlorophenyl)methyl]cyclohexan-1-amine
CID 61382478

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine?
The IUPAC name of 1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine (CID 115117343) is 1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine is NC1CCCC1NCc1ccc(Cl)cc1.
What is the InChIKey of 1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine?
The InChIKey is KEHNPCXDVOZHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c13-10-6-4-9(5-7-10)8-15-12-3-1-2-11(12)14/h4-7,11-12,15H,1-3,8,14H2.
What are the key properties of 1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine?
1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine has a molecular weight of 224.73 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine is sourced from PubChem (CID 115117343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).