1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol

C12H17NO — CID 115018710

IUPAC1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol
SMILESCC(O)(c1cccc(CN)c1)C1CC1
InChIInChI=1S/C12H17NO/c1-12(14,10-5-6-10)11-4-2-3-9(7-11)8-13/h2-4,7,10,14H,5-6,8,13H2,1H3
InChIKeyAWVNGGYDEFGPKB-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.76
Rot. Bonds3

About 1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol

1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol (PubChem CID 115018710) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol
PubChem CID115018710
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol
SMILESCC(O)(c1cccc(CN)c1)C1CC1
InChIInChI=1S/C12H17NO/c1-12(14,10-5-6-10)11-4-2-3-9(7-11)8-13/h2-4,7,10,14H,5-6,8,13H2,1H3
InChIKeyAWVNGGYDEFGPKB-UHFFFAOYSA-N
XLogP1.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-tert-butylphenyl)-1-cyclopropylethanol
CID 91657928
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[3-(2-chloropropan-2-yl)phenyl]methanamine
CID 174940258
[3-(2-methylsulfonylpropan-2-yl)phenyl]methanamine
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[3-(1-fluoro-1-pyrrolidin-3-ylethyl)phenyl]methanamine
CID 115033504
1-cyclopropyl-1-(3-ethoxyphenyl)ethanol
CID 58452037
[3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine
CID 115026580
1-(3-cyclobutylphenyl)-1-cyclopropylethanol
CID 114601106
1-[4-(aminomethyl)phenyl]-1-(oxolan-3-yl)ethanol
CID 115032739
1-(3-bromophenyl)-1-(4-ethylcyclohexyl)ethanol
CID 64749909
1-cyclopropyl-1-(4-ethylphenyl)ethanol
CID 23255821
1-(3-aminophenyl)-1-piperidin-4-ylethanol
CID 115032215

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol (CID 115018710) is 1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol is CC(O)(c1cccc(CN)c1)C1CC1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol?
The InChIKey is AWVNGGYDEFGPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(14,10-5-6-10)11-4-2-3-9(7-11)8-13/h2-4,7,10,14H,5-6,8,13H2,1H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol?
1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol has a molecular weight of 191.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol is sourced from PubChem (CID 115018710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).