[3-(1-amino-2-cyclopropylethyl)phenyl]methanol

C12H17NO — CID 55297629

IUPAC[3-(1-amino-2-cyclopropylethyl)phenyl]methanol
SMILESNC(CC1CC1)c1cccc(CO)c1
InChIInChI=1S/C12H17NO/c13-12(7-9-4-5-9)11-3-1-2-10(6-11)8-14/h1-3,6,9,12,14H,4-5,7-8,13H2
InChIKeyCNGSSJQMFYOZHW-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.98
Rot. Bonds4

About [3-(1-amino-2-cyclopropylethyl)phenyl]methanol

[3-(1-amino-2-cyclopropylethyl)phenyl]methanol (PubChem CID 55297629) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [3-(1-amino-2-cyclopropylethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(1-amino-2-cyclopropylethyl)phenyl]methanol
PubChem CID55297629
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[3-(1-amino-2-cyclopropylethyl)phenyl]methanol
SMILESNC(CC1CC1)c1cccc(CO)c1
InChIInChI=1S/C12H17NO/c13-12(7-9-4-5-9)11-3-1-2-10(6-11)8-14/h1-3,6,9,12,14H,4-5,7-8,13H2
InChIKeyCNGSSJQMFYOZHW-UHFFFAOYSA-N
XLogP1.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171218055
[3-[(1R)-1,2-diaminoethyl]phenyl]methanol
CID 66516208
3-(1-amino-2-cyclopropylethyl)benzenethiol
CID 55297793
2-cycloheptyl-1-(3-propylphenyl)ethanamine
CID 105050523
(1R)-2-cyclopropyl-1-(3-phenylmethoxyphenyl)ethanamine
CID 171211270
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548
(1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine
CID 171200529
3-[(1R)-1-amino-2-cyclopropylethyl]benzonitrile;hydrochloride
CID 171201432
(1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220070
(1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine
CID 150978200
2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol
CID 130061799
1-(3-bromophenyl)-2-piperidin-4-ylethanamine
CID 116936511

Frequently Asked Questions

What is the IUPAC name of [3-(1-amino-2-cyclopropylethyl)phenyl]methanol?
The IUPAC name of [3-(1-amino-2-cyclopropylethyl)phenyl]methanol (CID 55297629) is [3-(1-amino-2-cyclopropylethyl)phenyl]methanol.
What is the SMILES notation for [3-(1-amino-2-cyclopropylethyl)phenyl]methanol?
The canonical SMILES for [3-(1-amino-2-cyclopropylethyl)phenyl]methanol is NC(CC1CC1)c1cccc(CO)c1.
What is the InChIKey of [3-(1-amino-2-cyclopropylethyl)phenyl]methanol?
The InChIKey is CNGSSJQMFYOZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-12(7-9-4-5-9)11-3-1-2-10(6-11)8-14/h1-3,6,9,12,14H,4-5,7-8,13H2.
What are the key properties of [3-(1-amino-2-cyclopropylethyl)phenyl]methanol?
[3-(1-amino-2-cyclopropylethyl)phenyl]methanol has a molecular weight of 191.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-amino-2-cyclopropylethyl)phenyl]methanol is sourced from PubChem (CID 55297629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).