[1-[(1R)-2-amino-1-(2-methylphenyl)ethyl]cyclopentyl]methanol

C15H23NO — CID 125454181

IUPAC[1-[(1R)-2-amino-1-(2-methylphenyl)ethyl]cyclopentyl]methanol
SMILESCc1ccccc1[C@@H](CN)C1(CO)CCCC1
InChIInChI=1S/C15H23NO/c1-12-6-2-3-7-13(12)14(10-16)15(11-17)8-4-5-9-15/h2-3,6-7,14,17H,4-5,8-11,16H2,1H3/t14-/m1/s1
InChIKeyZOXCNBYYHFVDEI-CQSZACIVSA-N
MW233.35 g/mol
LogP2.59
Rot. Bonds4

About [1-[(1R)-2-amino-1-(2-methylphenyl)ethyl]cyclopentyl]methanol

[1-[(1R)-2-amino-1-(2-methylphenyl)ethyl]cyclopentyl]methanol (PubChem CID 125454181) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is [1-[(1R)-2-amino-1-(2-methylphenyl)ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(1R)-2-amino-1-(2-methylphenyl)ethyl]cyclopentyl]methanol
PubChem CID125454181
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name[1-[(1R)-2-amino-1-(2-methylphenyl)ethyl]cyclopentyl]methanol
SMILESCc1ccccc1[C@@H](CN)C1(CO)CCCC1
InChIInChI=1S/C15H23NO/c1-12-6-2-3-7-13(12)14(10-16)15(11-17)8-4-5-9-15/h2-3,6-7,14,17H,4-5,8-11,16H2,1H3/t14-/m1/s1
InChIKeyZOXCNBYYHFVDEI-CQSZACIVSA-N
XLogP2.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(1R)-2-amino-1-(2-methylphenyl)ethyl]cyclopentyl]methanol?
The IUPAC name of [1-[(1R)-2-amino-1-(2-methylphenyl)ethyl]cyclopentyl]methanol (CID 125454181) is [1-[(1R)-2-amino-1-(2-methylphenyl)ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[(1R)-2-amino-1-(2-methylphenyl)ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-[(1R)-2-amino-1-(2-methylphenyl)ethyl]cyclopentyl]methanol is Cc1ccccc1[C@@H](CN)C1(CO)CCCC1.
What is the InChIKey of [1-[(1R)-2-amino-1-(2-methylphenyl)ethyl]cyclopentyl]methanol?
The InChIKey is ZOXCNBYYHFVDEI-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-6-2-3-7-13(12)14(10-16)15(11-17)8-4-5-9-15/h2-3,6-7,14,17H,4-5,8-11,16H2,1H3/t14-/m1/s1.
What are the key properties of [1-[(1R)-2-amino-1-(2-methylphenyl)ethyl]cyclopentyl]methanol?
[1-[(1R)-2-amino-1-(2-methylphenyl)ethyl]cyclopentyl]methanol has a molecular weight of 233.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1R)-2-amino-1-(2-methylphenyl)ethyl]cyclopentyl]methanol is sourced from PubChem (CID 125454181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).