1-[(2-amino-6-chloroanilino)methyl]cyclopentan-1-ol

C12H17ClN2O — CID 65103220

IUPAC1-[(2-amino-6-chloroanilino)methyl]cyclopentan-1-ol
SMILESNc1cccc(Cl)c1NCC1(O)CCCC1
InChIInChI=1S/C12H17ClN2O/c13-9-4-3-5-10(14)11(9)15-8-12(16)6-1-2-7-12/h3-5,15-16H,1-2,6-8,14H2
InChIKeyQKZAUOLKFXQYAM-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.64
Rot. Bonds3

About 1-[(2-amino-6-chloroanilino)methyl]cyclopentan-1-ol

1-[(2-amino-6-chloroanilino)methyl]cyclopentan-1-ol (PubChem CID 65103220) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-[(2-amino-6-chloroanilino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2-amino-6-chloroanilino)methyl]cyclopentan-1-ol
PubChem CID65103220
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-[(2-amino-6-chloroanilino)methyl]cyclopentan-1-ol
SMILESNc1cccc(Cl)c1NCC1(O)CCCC1
InChIInChI=1S/C12H17ClN2O/c13-9-4-3-5-10(14)11(9)15-8-12(16)6-1-2-7-12/h3-5,15-16H,1-2,6-8,14H2
InChIKeyQKZAUOLKFXQYAM-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-amino-3-chloroanilino)methyl]cyclohexan-1-ol
CID 104834640
1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol
CID 62332412
1-[(4-amino-2-chloroanilino)methyl]cycloheptan-1-ol
CID 65123434
2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 115540784
2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113651
1-[(3-chloroanilino)methyl]cyclobutan-1-ol
CID 131701731
3-chloro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 78960288
1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65109143
3-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine
CID 115405373
3-chloro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenol
CID 78960594
4-[(2-amino-6-chloroanilino)methyl]cyclohexan-1-ol
CID 106120080
2-amino-3-[(1-hydroxycyclopentyl)methylamino]benzonitrile
CID 104716841

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-6-chloroanilino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(2-amino-6-chloroanilino)methyl]cyclopentan-1-ol (CID 65103220) is 1-[(2-amino-6-chloroanilino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(2-amino-6-chloroanilino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(2-amino-6-chloroanilino)methyl]cyclopentan-1-ol is Nc1cccc(Cl)c1NCC1(O)CCCC1.
What is the InChIKey of 1-[(2-amino-6-chloroanilino)methyl]cyclopentan-1-ol?
The InChIKey is QKZAUOLKFXQYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-9-4-3-5-10(14)11(9)15-8-12(16)6-1-2-7-12/h3-5,15-16H,1-2,6-8,14H2.
What are the key properties of 1-[(2-amino-6-chloroanilino)methyl]cyclopentan-1-ol?
1-[(2-amino-6-chloroanilino)methyl]cyclopentan-1-ol has a molecular weight of 240.73 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-6-chloroanilino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65103220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).