4-[(2S)-2-aminopropyl]phenol;methanol

C10H17NO2 — CID 142971966

IUPAC4-[(2S)-2-aminopropyl]phenol;methanol
SMILESCO.C[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C9H13NO.CH4O/c1-7(10)6-8-2-4-9(11)5-3-8;1-2/h2-5,7,11H,6,10H2,1H3;2H,1H3/t7-;/m0./s1
InChIKeyVWUDSVASJHFNAU-FJXQXJEOSA-N
MW183.25 g/mol
LogP0.89
Rot. Bonds2

About 4-[(2S)-2-aminopropyl]phenol;methanol

4-[(2S)-2-aminopropyl]phenol;methanol (PubChem CID 142971966) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-[(2S)-2-aminopropyl]phenol;methanol.

Molecular Properties

Compound Name4-[(2S)-2-aminopropyl]phenol;methanol
PubChem CID142971966
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-[(2S)-2-aminopropyl]phenol;methanol
SMILESCO.C[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C9H13NO.CH4O/c1-7(10)6-8-2-4-9(11)5-3-8;1-2/h2-5,7,11H,6,10H2,1H3;2H,1H3/t7-;/m0./s1
InChIKeyVWUDSVASJHFNAU-FJXQXJEOSA-N
XLogP0.89
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(2S)-2-aminopropyl]phenol;methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;(4S)-5-(4-hydroxyphenyl)-4-methylpentan-2-one;hydrochloride
CID 158091851
4-(2-amino-4-methylpentyl)phenol
CID 62754924
(2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one
CID 139478348
4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane
CID 143560226
[4-(2-aminopropyl)phenyl]methanediol
CID 77321990
1-(4-chlorophenyl)propan-2-amine
CID 3127
4-(3-amino-2-methylpropyl)phenol;ethane
CID 170743294
4-[(2S)-2-hydrazinylpropyl]phenol
CID 97429943
4-[5-(2-aminopropyl)pyrimidin-2-yl]phenol
CID 136889444
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-aminopropyl]phenol;methanol?
The IUPAC name of 4-[(2S)-2-aminopropyl]phenol;methanol (CID 142971966) is 4-[(2S)-2-aminopropyl]phenol;methanol.
What is the SMILES notation for 4-[(2S)-2-aminopropyl]phenol;methanol?
The canonical SMILES for 4-[(2S)-2-aminopropyl]phenol;methanol is CO.C[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of 4-[(2S)-2-aminopropyl]phenol;methanol?
The InChIKey is VWUDSVASJHFNAU-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H13NO.CH4O/c1-7(10)6-8-2-4-9(11)5-3-8;1-2/h2-5,7,11H,6,10H2,1H3;2H,1H3/t7-;/m0./s1.
What are the key properties of 4-[(2S)-2-aminopropyl]phenol;methanol?
4-[(2S)-2-aminopropyl]phenol;methanol has a molecular weight of 183.25 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-aminopropyl]phenol;methanol is sourced from PubChem (CID 142971966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).