2-(2-phenylethylamino)butan-1-ol

C12H19NO — CID 17157372

IUPAC2-(2-phenylethylamino)butan-1-ol
SMILESCCC(CO)NCCc1ccccc1
InChIInChI=1S/C12H19NO/c1-2-12(10-14)13-9-8-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3
InChIKeyHLRRMIWDZXVQEN-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.59
Rot. Bonds6

About 2-(2-phenylethylamino)butan-1-ol

2-(2-phenylethylamino)butan-1-ol (PubChem CID 17157372) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(2-phenylethylamino)butan-1-ol.

Molecular Properties

Compound Name2-(2-phenylethylamino)butan-1-ol
PubChem CID17157372
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(2-phenylethylamino)butan-1-ol
SMILESCCC(CO)NCCc1ccccc1
InChIInChI=1S/C12H19NO/c1-2-12(10-14)13-9-8-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3
InChIKeyHLRRMIWDZXVQEN-UHFFFAOYSA-N
XLogP1.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-phenylethylamino)butan-1-ol 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

(2R)-2-(3-phenylpropylamino)butan-1-ol
CID 28724554
ethane-1,2-diol;2-(2-hydroxyethylamino)butan-1-ol;naphthalene
CID 67124964
(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
(2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol
CID 103922671
(2R)-2-(2-phenylethylamino)propanoic acid
CID 83194551
(2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine
CID 28615648
3-ethyl-N-(2-phenylethyl)pentan-2-amine
CID 63844116
1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine
CID 141155075
(2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol
CID 834361
N-(2-phenylethyl)octan-4-amine
CID 11128217
(2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid
CID 70101907
1-methylsulfanyl-N-(4-phenylbutyl)butan-2-amine
CID 114333568

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylamino)butan-1-ol?
The IUPAC name of 2-(2-phenylethylamino)butan-1-ol (CID 17157372) is 2-(2-phenylethylamino)butan-1-ol.
What is the SMILES notation for 2-(2-phenylethylamino)butan-1-ol?
The canonical SMILES for 2-(2-phenylethylamino)butan-1-ol is CCC(CO)NCCc1ccccc1.
What is the InChIKey of 2-(2-phenylethylamino)butan-1-ol?
The InChIKey is HLRRMIWDZXVQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-12(10-14)13-9-8-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3.
What are the key properties of 2-(2-phenylethylamino)butan-1-ol?
2-(2-phenylethylamino)butan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylamino)butan-1-ol is sourced from PubChem (CID 17157372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).