[2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride

C13H20ClNO — CID 115592493

IUPAC[2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride
SMILESCl.OCc1ccccc1CNC1CCCC1
InChIInChI=1S/C13H19NO.ClH/c15-10-12-6-2-1-5-11(12)9-14-13-7-3-4-8-13;/h1-2,5-6,13-15H,3-4,7-10H2;1H
InChIKeyXVQNYDXUTONLLE-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.63
Rot. Bonds4

About [2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride

[2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride (PubChem CID 115592493) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is [2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride.

Molecular Properties

Compound Name[2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride
PubChem CID115592493
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name[2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride
SMILESCl.OCc1ccccc1CNC1CCCC1
InChIInChI=1S/C13H19NO.ClH/c15-10-12-6-2-1-5-11(12)9-14-13-7-3-4-8-13;/h1-2,5-6,13-15H,3-4,7-10H2;1H
InChIKeyXVQNYDXUTONLLE-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride
CID 17294536
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride
CID 17156907
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
N-[(2-aminophenyl)methyl]cyclooctanamine
CID 66385631
methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate
CID 115461578
2-[(cyclohexylamino)methyl]benzoic acid
CID 17156908
N-[[2-[2-(methylamino)ethyl]phenyl]methyl]cycloheptanamine
CID 104546893
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
2-[(cyclohexylamino)methyl]-6-phenylphenol
CID 138615262
N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
CID 6460007
N-[2-[(cyclohexylamino)methyl]phenyl]acetamide
CID 66289861

Frequently Asked Questions

What is the IUPAC name of [2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride?
The IUPAC name of [2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride (CID 115592493) is [2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride.
What is the SMILES notation for [2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride?
The canonical SMILES for [2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride is Cl.OCc1ccccc1CNC1CCCC1.
What is the InChIKey of [2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride?
The InChIKey is XVQNYDXUTONLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c15-10-12-6-2-1-5-11(12)9-14-13-7-3-4-8-13;/h1-2,5-6,13-15H,3-4,7-10H2;1H.
What are the key properties of [2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride?
[2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride is sourced from PubChem (CID 115592493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).