3-[[(2,3-dichlorophenyl)methylamino]methyl]cyclopentan-1-ol

C13H17Cl2NO — CID 103270651

IUPAC3-[[(2,3-dichlorophenyl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C13H17Cl2NO/c14-12-3-1-2-10(13(12)15)8-16-7-9-4-5-11(17)6-9/h1-3,9,11,16-17H,4-8H2
InChIKeyGHPGXLPUIDDVLO-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.24
Rot. Bonds4

About 3-[[(2,3-dichlorophenyl)methylamino]methyl]cyclopentan-1-ol

3-[[(2,3-dichlorophenyl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 103270651) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 3-[[(2,3-dichlorophenyl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(2,3-dichlorophenyl)methylamino]methyl]cyclopentan-1-ol
PubChem CID103270651
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name3-[[(2,3-dichlorophenyl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C13H17Cl2NO/c14-12-3-1-2-10(13(12)15)8-16-7-9-4-5-11(17)6-9/h1-3,9,11,16-17H,4-8H2
InChIKeyGHPGXLPUIDDVLO-UHFFFAOYSA-N
XLogP3.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,3-dichlorophenyl)methyl]cyclopentan-1-ol
CID 107310340
3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147754
2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol
CID 114146992
3-[[(2,3-dimethylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270925
3-[[(2-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270976
N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920110
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 114146215
N-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7458212
4-chloro-2-[[(3-hydroxycyclopentyl)methylamino]methyl]phenol
CID 103270835
2-chloro-6-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107412029
3-chloro-4-[[(3-hydroxycyclopentyl)methylamino]methyl]benzonitrile
CID 106129842
3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 106129789

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,3-dichlorophenyl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(2,3-dichlorophenyl)methylamino]methyl]cyclopentan-1-ol (CID 103270651) is 3-[[(2,3-dichlorophenyl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(2,3-dichlorophenyl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(2,3-dichlorophenyl)methylamino]methyl]cyclopentan-1-ol is OC1CCC(CNCc2cccc(Cl)c2Cl)C1.
What is the InChIKey of 3-[[(2,3-dichlorophenyl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is GHPGXLPUIDDVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-12-3-1-2-10(13(12)15)8-16-7-9-4-5-11(17)6-9/h1-3,9,11,16-17H,4-8H2.
What are the key properties of 3-[[(2,3-dichlorophenyl)methylamino]methyl]cyclopentan-1-ol?
3-[[(2,3-dichlorophenyl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 274.19 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,3-dichlorophenyl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103270651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).