2-Amino-1-(4-methylphenyl)ethan-1-ol

C9H13NO — CID 3519929

IUPAC2-amino-1-(4-methylphenyl)ethanol
SMILESCC1=CC=C(C=C1)C(CN)O
InChIInChI=1S/C9H13NO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5,9,11H,6,10H2,1H3
InChIKeyJHBXVBYRGVHEAH-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.50
Rot. Bonds2

About 2-Amino-1-(4-methylphenyl)ethan-1-ol

2-Amino-1-(4-methylphenyl)ethan-1-ol (PubChem CID 3519929) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-amino-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-Amino-1-(4-methylphenyl)ethan-1-ol
PubChem CID3519929
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-amino-1-(4-methylphenyl)ethanol
SMILESCC1=CC=C(C=C1)C(CN)O
InChIInChI=1S/C9H13NO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5,9,11H,6,10H2,1H3
InChIKeyJHBXVBYRGVHEAH-UHFFFAOYSA-N
XLogP0.50
TPSA46.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity108

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Pseudoephedrine
CID 7028
Ephedrine
CID 9294
Phenylpropanolamine
CID 10297
Phenylethanolamine
CID 1000
Ephedrine Hydrochloride
CID 65326
Cathine
CID 441457
Pseudoephedrine Hydrochloride
CID 9581
Phenylpropanolamine Hydrochloride
CID 62943
p,alpha-DIMETHYLBENZYL ALCOHOL
CID 10817
DL-Ephedrine
CID 5032
(-)-Norpseudoephedrine
CID 162265
N-Methylphenylethanolamine
CID 913

Frequently Asked Questions

What is the IUPAC name of 2-Amino-1-(4-methylphenyl)ethan-1-ol?
The IUPAC name of 2-Amino-1-(4-methylphenyl)ethan-1-ol (CID 3519929) is 2-amino-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-Amino-1-(4-methylphenyl)ethan-1-ol?
The canonical SMILES for 2-Amino-1-(4-methylphenyl)ethan-1-ol is CC1=CC=C(C=C1)C(CN)O.
What is the InChIKey of 2-Amino-1-(4-methylphenyl)ethan-1-ol?
The InChIKey is JHBXVBYRGVHEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5,9,11H,6,10H2,1H3.
What are the key properties of 2-Amino-1-(4-methylphenyl)ethan-1-ol?
2-Amino-1-(4-methylphenyl)ethan-1-ol has a molecular weight of 151.21 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Amino-1-(4-methylphenyl)ethan-1-ol is sourced from PubChem (CID 3519929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).