2-[(S)-amino(cyclopentyl)methyl]phenol

C12H17NO — CID 130665653

IUPAC2-[(S)-amino(cyclopentyl)methyl]phenol
SMILESN[C@H](c1ccccc1O)C1CCCC1
InChIInChI=1S/C12H17NO/c13-12(9-5-1-2-6-9)10-7-3-4-8-11(10)14/h3-4,7-9,12,14H,1-2,5-6,13H2/t12-/m0/s1
InChIKeyDMMMAEKIAMGGIJ-LBPRGKRZSA-N
MW191.27 g/mol
LogP2.58
Rot. Bonds2

About 2-[(S)-amino(cyclopentyl)methyl]phenol

2-[(S)-amino(cyclopentyl)methyl]phenol (PubChem CID 130665653) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[(S)-amino(cyclopentyl)methyl]phenol.

Molecular Properties

Compound Name2-[(S)-amino(cyclopentyl)methyl]phenol
PubChem CID130665653
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[(S)-amino(cyclopentyl)methyl]phenol
SMILESN[C@H](c1ccccc1O)C1CCCC1
InChIInChI=1S/C12H17NO/c13-12(9-5-1-2-6-9)10-7-3-4-8-11(10)14/h3-4,7-9,12,14H,1-2,5-6,13H2/t12-/m0/s1
InChIKeyDMMMAEKIAMGGIJ-LBPRGKRZSA-N
XLogP2.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride
CID 171200964
(R)-(2-chlorophenyl)-cyclopentylmethanamine
CID 91256846
3-[amino(cyclobutyl)methyl]-2-methylphenol
CID 130061106
cyclohexyl-(2-iodophenyl)methanamine
CID 112630996
cycloheptyl-(2-iodophenyl)methanamine
CID 105027819
2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride
CID 171212510
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
2-[amino-(1-methylpyrrolidin-3-yl)methyl]phenol
CID 105459188
(R)-(2-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171198060
2-[(R)-amino(cyclobutyl)methyl]-5-fluorophenol
CID 131076706
(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171226251
2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride
CID 171217140

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-amino(cyclopentyl)methyl]phenol?
The IUPAC name of 2-[(S)-amino(cyclopentyl)methyl]phenol (CID 130665653) is 2-[(S)-amino(cyclopentyl)methyl]phenol.
What is the SMILES notation for 2-[(S)-amino(cyclopentyl)methyl]phenol?
The canonical SMILES for 2-[(S)-amino(cyclopentyl)methyl]phenol is N[C@H](c1ccccc1O)C1CCCC1.
What is the InChIKey of 2-[(S)-amino(cyclopentyl)methyl]phenol?
The InChIKey is DMMMAEKIAMGGIJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17NO/c13-12(9-5-1-2-6-9)10-7-3-4-8-11(10)14/h3-4,7-9,12,14H,1-2,5-6,13H2/t12-/m0/s1.
What are the key properties of 2-[(S)-amino(cyclopentyl)methyl]phenol?
2-[(S)-amino(cyclopentyl)methyl]phenol has a molecular weight of 191.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-amino(cyclopentyl)methyl]phenol is sourced from PubChem (CID 130665653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).