[1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol

C14H20ClNO — CID 113293650

IUPAC[1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
SMILESOCC1(CNCc2cccc(Cl)c2)CCCC1
InChIInChI=1S/C14H20ClNO/c15-13-5-3-4-12(8-13)9-16-10-14(11-17)6-1-2-7-14/h3-5,8,16-17H,1-2,6-7,9-11H2
InChIKeyVQMIMUJRCWLACD-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.98
Rot. Bonds5

About [1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol

[1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol (PubChem CID 113293650) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is [1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
PubChem CID113293650
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name[1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
SMILESOCC1(CNCc2cccc(Cl)c2)CCCC1
InChIInChI=1S/C14H20ClNO/c15-13-5-3-4-12(8-13)9-16-10-14(11-17)6-1-2-7-14/h3-5,8,16-17H,1-2,6-7,9-11H2
InChIKeyVQMIMUJRCWLACD-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzamide
CID 115358989
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293557
[1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 103581870
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 106817015
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol
CID 103965941
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 106817065
3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631434
1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 28530508
3-[[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylamino]methyl]benzoic acid
CID 122035324
[1-[[(3-propoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358849
2-[(3-chlorophenyl)methylsulfanyl]-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362449
[1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 115454369

Frequently Asked Questions

What is the IUPAC name of [1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol (CID 113293650) is [1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol is OCC1(CNCc2cccc(Cl)c2)CCCC1.
What is the InChIKey of [1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol?
The InChIKey is VQMIMUJRCWLACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c15-13-5-3-4-12(8-13)9-16-10-14(11-17)6-1-2-7-14/h3-5,8,16-17H,1-2,6-7,9-11H2.
What are the key properties of [1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol?
[1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol has a molecular weight of 253.77 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 113293650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).