3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol

C12H15Cl2NO — CID 58954822

IUPAC3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol
SMILESNCC1(c2ccc(Cl)c(Cl)c2)CCC(O)C1
InChIInChI=1S/C12H15Cl2NO/c13-10-2-1-8(5-11(10)14)12(7-15)4-3-9(16)6-12/h1-2,5,9,16H,3-4,6-7,15H2
InChIKeyACEHPFMVELBCNI-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.73
Rot. Bonds2

About 3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol

3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol (PubChem CID 58954822) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol
PubChem CID58954822
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol
SMILESNCC1(c2ccc(Cl)c(Cl)c2)CCC(O)C1
InChIInChI=1S/C12H15Cl2NO/c13-10-2-1-8(5-11(10)14)12(7-15)4-3-9(16)6-12/h1-2,5,9,16H,3-4,6-7,15H2
InChIKeyACEHPFMVELBCNI-UHFFFAOYSA-N
XLogP2.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol
CID 29938807
3-(3,4-Dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol
CID 58954830
4-(Aminomethyl)-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol
CID 58954945
2-[(3R)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol
CID 68653619
2-[(3S)-3-(3,4-dichlorophenyl)azepan-3-yl]ethanol
CID 71718185
2-[(3R)-3-(3,4-dichlorophenyl)azepan-3-yl]ethanol
CID 71719830
4-(Aminomethyl)-4-(3,4-dichlorophenyl)cyclohexanol
CID 24730055
4-(3,4-Dichlorophenyl)-4-[(dimethylamino)methyl]cyclohexan-1-ol
CID 45026961
3-Aminomethyl-3-(3,4-dichloro-phenyl)-1-methyl-cyclohexanol
CID 58954803
3-(Aminomethyl)-3-(3,4-dichlorophenyl)cyclohexan-1-ol
CID 58954826
[2-(3,4-Dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol
CID 58954827
4-(3,4-Dichlorophenyl)-4-(methylaminomethyl)cyclohexan-1-ol
CID 58954896

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol?
The IUPAC name of 3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol (CID 58954822) is 3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol.
What is the SMILES notation for 3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol?
The canonical SMILES for 3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol is NCC1(c2ccc(Cl)c(Cl)c2)CCC(O)C1.
What is the InChIKey of 3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol?
The InChIKey is ACEHPFMVELBCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-10-2-1-8(5-11(10)14)12(7-15)4-3-9(16)6-12/h1-2,5,9,16H,3-4,6-7,15H2.
What are the key properties of 3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol?
3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol has a molecular weight of 260.16 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol is sourced from PubChem (CID 58954822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).