2-[(3-methylcyclopentyl)amino]-1-(2-methylphenyl)ethanol

C15H23NO — CID 111466776

IUPAC2-[(3-methylcyclopentyl)amino]-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(O)CNC1CCC(C)C1
InChIInChI=1S/C15H23NO/c1-11-7-8-13(9-11)16-10-15(17)14-6-4-3-5-12(14)2/h3-6,11,13,15-17H,7-10H2,1-2H3
InChIKeyIKJFCXAEKDPXFU-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.81
Rot. Bonds4

About 2-[(3-methylcyclopentyl)amino]-1-(2-methylphenyl)ethanol

2-[(3-methylcyclopentyl)amino]-1-(2-methylphenyl)ethanol (PubChem CID 111466776) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[(3-methylcyclopentyl)amino]-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[(3-methylcyclopentyl)amino]-1-(2-methylphenyl)ethanol
PubChem CID111466776
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[(3-methylcyclopentyl)amino]-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(O)CNC1CCC(C)C1
InChIInChI=1S/C15H23NO/c1-11-7-8-13(9-11)16-10-15(17)14-6-4-3-5-12(14)2/h3-6,11,13,15-17H,7-10H2,1-2H3
InChIKeyIKJFCXAEKDPXFU-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 114545638
1-(2,4-difluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 115651887
3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 81374284
1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 115652821
cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 95376461
2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol
CID 45096959
2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
1-(2-aminophenyl)-2-(cyclopropylamino)ethanol
CID 115019176
N'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine
CID 114547176
2-[(3-ethylcyclopentyl)amino]-1-(2-fluorophenyl)ethanol
CID 111466397
N-[2-(2-methylphenyl)butyl]cyclopropanamine
CID 79421511
N-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine
CID 81015304

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclopentyl)amino]-1-(2-methylphenyl)ethanol?
The IUPAC name of 2-[(3-methylcyclopentyl)amino]-1-(2-methylphenyl)ethanol (CID 111466776) is 2-[(3-methylcyclopentyl)amino]-1-(2-methylphenyl)ethanol.
What is the SMILES notation for 2-[(3-methylcyclopentyl)amino]-1-(2-methylphenyl)ethanol?
The canonical SMILES for 2-[(3-methylcyclopentyl)amino]-1-(2-methylphenyl)ethanol is Cc1ccccc1C(O)CNC1CCC(C)C1.
What is the InChIKey of 2-[(3-methylcyclopentyl)amino]-1-(2-methylphenyl)ethanol?
The InChIKey is IKJFCXAEKDPXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-7-8-13(9-11)16-10-15(17)14-6-4-3-5-12(14)2/h3-6,11,13,15-17H,7-10H2,1-2H3.
What are the key properties of 2-[(3-methylcyclopentyl)amino]-1-(2-methylphenyl)ethanol?
2-[(3-methylcyclopentyl)amino]-1-(2-methylphenyl)ethanol has a molecular weight of 233.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclopentyl)amino]-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 111466776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).