2-[(2-amino-5-chloroanilino)methyl]cyclopentan-1-ol

C12H17ClN2O — CID 115469089

IUPAC2-[(2-amino-5-chloroanilino)methyl]cyclopentan-1-ol
SMILESNc1ccc(Cl)cc1NCC1CCCC1O
InChIInChI=1S/C12H17ClN2O/c13-9-4-5-10(14)11(6-9)15-7-8-2-1-3-12(8)16/h4-6,8,12,15-16H,1-3,7,14H2
InChIKeySRYFRNHFERXZSD-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.50
Rot. Bonds3

About 2-[(2-amino-5-chloroanilino)methyl]cyclopentan-1-ol

2-[(2-amino-5-chloroanilino)methyl]cyclopentan-1-ol (PubChem CID 115469089) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-[(2-amino-5-chloroanilino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(2-amino-5-chloroanilino)methyl]cyclopentan-1-ol
PubChem CID115469089
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-[(2-amino-5-chloroanilino)methyl]cyclopentan-1-ol
SMILESNc1ccc(Cl)cc1NCC1CCCC1O
InChIInChI=1S/C12H17ClN2O/c13-9-4-5-10(14)11(6-9)15-7-8-2-1-3-12(8)16/h4-6,8,12,15-16H,1-3,7,14H2
InChIKeySRYFRNHFERXZSD-UHFFFAOYSA-N
XLogP2.50
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-amino-5-chloroanilino)methyl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-[(2-hydroxycyclopentyl)methylamino]benzonitrile
CID 104712081
4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine
CID 115468475
2-[(2-amino-4-iodoanilino)methyl]cyclohexan-1-ol
CID 66082322
2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol
CID 115507102
4-chloro-1-N-[(2-methylcyclohexyl)methyl]benzene-1,2-diamine
CID 55013528
2-[(2-amino-4-nitroanilino)methyl]cyclohexan-1-ol
CID 64927648
4-chloro-2-N-[(1,1-dioxothiolan-3-yl)methyl]benzene-1,2-diamine
CID 115468877
2-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106812142
N'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490962
2-[2-amino-5-[(2-hydroxycyclopentyl)methylamino]phenyl]acetonitrile
CID 102624457
4-chloro-2-[(2-methylcyclohexyl)methylamino]benzenecarbothioamide
CID 55225378
[2-[(5-chloro-2-nitroanilino)methyl]cyclopentyl]methanol
CID 115469733

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-chloroanilino)methyl]cyclopentan-1-ol?
The IUPAC name of 2-[(2-amino-5-chloroanilino)methyl]cyclopentan-1-ol (CID 115469089) is 2-[(2-amino-5-chloroanilino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(2-amino-5-chloroanilino)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(2-amino-5-chloroanilino)methyl]cyclopentan-1-ol is Nc1ccc(Cl)cc1NCC1CCCC1O.
What is the InChIKey of 2-[(2-amino-5-chloroanilino)methyl]cyclopentan-1-ol?
The InChIKey is SRYFRNHFERXZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-9-4-5-10(14)11(6-9)15-7-8-2-1-3-12(8)16/h4-6,8,12,15-16H,1-3,7,14H2.
What are the key properties of 2-[(2-amino-5-chloroanilino)methyl]cyclopentan-1-ol?
2-[(2-amino-5-chloroanilino)methyl]cyclopentan-1-ol has a molecular weight of 240.73 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-chloroanilino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 115469089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).