2-[(R)-amino(cyclopentyl)methyl]-4-chloroaniline

C12H17ClN2 — CID 171214222

IUPAC2-[(R)-amino(cyclopentyl)methyl]-4-chloroaniline
SMILESNc1ccc(Cl)cc1[C@H](N)C1CCCC1
InChIInChI=1S/C12H17ClN2/c13-9-5-6-11(14)10(7-9)12(15)8-3-1-2-4-8/h5-8,12H,1-4,14-15H2/t12-/m1/s1
InChIKeyPJDHCTPCQZBNKX-GFCCVEGCSA-N
MW224.74 g/mol
LogP3.11
Rot. Bonds2

About 2-[(R)-amino(cyclopentyl)methyl]-4-chloroaniline

2-[(R)-amino(cyclopentyl)methyl]-4-chloroaniline (PubChem CID 171214222) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is 2-[(R)-amino(cyclopentyl)methyl]-4-chloroaniline.

Molecular Properties

Compound Name2-[(R)-amino(cyclopentyl)methyl]-4-chloroaniline
PubChem CID171214222
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC Name2-[(R)-amino(cyclopentyl)methyl]-4-chloroaniline
SMILESNc1ccc(Cl)cc1[C@H](N)C1CCCC1
InChIInChI=1S/C12H17ClN2/c13-9-5-6-11(14)10(7-9)12(15)8-3-1-2-4-8/h5-8,12H,1-4,14-15H2/t12-/m1/s1
InChIKeyPJDHCTPCQZBNKX-GFCCVEGCSA-N
XLogP3.11
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(S)-amino(cyclopentyl)methyl]-4-chloroaniline
CID 171233850
2-[(S)-amino(oxan-4-yl)methyl]-4-chloroaniline;hydrochloride
CID 171244368
(1R,2S)-2-amino-2-(2-amino-5-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171270956
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
(R)-cyclobutyl-(2,5-dichlorophenyl)methanamine
CID 130055186
2-[amino(cyclopropyl)methyl]-5-chloroaniline
CID 55270347
(S)-(4-chloro-2-methylphenyl)-cyclopentylmethanamine
CID 131595762
2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride
CID 171217140
(S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171223307
(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
(S)-(5-chloro-2-piperidin-1-ylphenyl)-cyclohexylmethanamine
CID 125466626
4-[(S)-amino(cyclopropyl)methyl]-2,3-dichloroaniline
CID 130729519

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclopentyl)methyl]-4-chloroaniline?
The IUPAC name of 2-[(R)-amino(cyclopentyl)methyl]-4-chloroaniline (CID 171214222) is 2-[(R)-amino(cyclopentyl)methyl]-4-chloroaniline.
What is the SMILES notation for 2-[(R)-amino(cyclopentyl)methyl]-4-chloroaniline?
The canonical SMILES for 2-[(R)-amino(cyclopentyl)methyl]-4-chloroaniline is Nc1ccc(Cl)cc1[C@H](N)C1CCCC1.
What is the InChIKey of 2-[(R)-amino(cyclopentyl)methyl]-4-chloroaniline?
The InChIKey is PJDHCTPCQZBNKX-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17ClN2/c13-9-5-6-11(14)10(7-9)12(15)8-3-1-2-4-8/h5-8,12H,1-4,14-15H2/t12-/m1/s1.
What are the key properties of 2-[(R)-amino(cyclopentyl)methyl]-4-chloroaniline?
2-[(R)-amino(cyclopentyl)methyl]-4-chloroaniline has a molecular weight of 224.74 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(cyclopentyl)methyl]-4-chloroaniline is sourced from PubChem (CID 171214222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).