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

C16H25NO — CID 79127710

IUPAC1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(C)(O)C1(CN)CCC(C)C1
InChIInChI=1S/C16H25NO/c1-12-8-9-16(10-12,11-17)15(3,18)14-7-5-4-6-13(14)2/h4-7,12,18H,8-11,17H2,1-3H3
InChIKeyADMYDLOZZKQVNO-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.97
Rot. Bonds3

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

1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-methylphenyl)ethanol (PubChem CID 79127710) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-methylphenyl)ethanol
PubChem CID79127710
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(C)(O)C1(CN)CCC(C)C1
InChIInChI=1S/C16H25NO/c1-12-8-9-16(10-12,11-17)15(3,18)14-7-5-4-6-13(14)2/h4-7,12,18H,8-11,17H2,1-3H3
InChIKeyADMYDLOZZKQVNO-UHFFFAOYSA-N
XLogP2.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2-methylphenyl)ethanol
CID 79128362
1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(3,4-dimethylphenyl)ethanol
CID 79134930
1-[1-(aminomethyl)-3-methylcyclopentyl]-1-thiophen-2-ylethanol
CID 79135673
1-[4-(aminomethyl)oxan-4-yl]-1-(2-methylphenyl)ethanol
CID 79128669
1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-fluorophenyl)propan-1-ol
CID 112680353
2-[1-(aminomethyl)-3-methylcyclopentyl]-3-methylbutan-2-ol
CID 79127868
1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2,4-dichloro-5-fluorophenyl)ethanol
CID 79125689
1-[1-(aminomethyl)-4-methylcyclohexyl]-1-phenylbutan-1-ol
CID 79135925
1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 64501771
1-[1-(aminomethyl)cyclooctyl]-1-(2,5-dimethylphenyl)ethanol
CID 80610563
1-[1-(aminomethyl)cyclobutyl]-1-(2-methoxyphenyl)ethanol
CID 79128526
2-[1-(aminomethyl)-4-methylcyclohexyl]butan-2-ol
CID 79126658

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-methylphenyl)ethanol?
The IUPAC name of 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-methylphenyl)ethanol (CID 79127710) is 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-methylphenyl)ethanol.
What is the SMILES notation for 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-methylphenyl)ethanol?
The canonical SMILES for 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-methylphenyl)ethanol is Cc1ccccc1C(C)(O)C1(CN)CCC(C)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-methylphenyl)ethanol?
The InChIKey is ADMYDLOZZKQVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-8-9-16(10-12,11-17)15(3,18)14-7-5-4-6-13(14)2/h4-7,12,18H,8-11,17H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-methylphenyl)ethanol?
1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-methylphenyl)ethanol has a molecular weight of 247.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 79127710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).