(2R)-2-(but-3-enylamino)-2-phenylethanol

C12H17NO — CID 14716014

IUPAC(2R)-2-(but-3-enylamino)-2-phenylethanol
SMILESC=CCCN[C@@H](CO)c1ccccc1
InChIInChI=1S/C12H17NO/c1-2-3-9-13-12(10-14)11-7-5-4-6-8-11/h2,4-8,12-14H,1,3,9-10H2/t12-/m0/s1
InChIKeyOJVXOYRTGVJINN-LBPRGKRZSA-N
MW191.27 g/mol
LogP1.89
Rot. Bonds6

About (2R)-2-(but-3-enylamino)-2-phenylethanol

(2R)-2-(but-3-enylamino)-2-phenylethanol (PubChem CID 14716014) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2R)-2-(but-3-enylamino)-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-(but-3-enylamino)-2-phenylethanol
PubChem CID14716014
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2R)-2-(but-3-enylamino)-2-phenylethanol
SMILESC=CCCN[C@@H](CO)c1ccccc1
InChIInChI=1S/C12H17NO/c1-2-3-9-13-12(10-14)11-7-5-4-6-8-11/h2,4-8,12-14H,1,3,9-10H2/t12-/m0/s1
InChIKeyOJVXOYRTGVJINN-LBPRGKRZSA-N
XLogP1.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-2-(but-3-enylamino)-2-phenylethanol 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-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol
CID 63183327
N-[(1R)-2-hydroxy-1-phenylethyl]pent-4-enamide
CID 67310926
2-(2-methoxyethylamino)-2-phenylethanol
CID 62544769
(2S)-2-(2-bromoprop-2-enylamino)-2-phenylethanol
CID 86786798
(2R)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]ethanol
CID 11032401
(2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol
CID 11172674
(2R)-2-(3,3-dimethoxypropylamino)-2-phenylethanol
CID 24741569
2-phenyl-2-(2-propan-2-yloxyethylamino)ethanol
CID 63183006
2-[2-(2-fluorophenyl)ethylamino]-2-phenylethanol
CID 110012007
2-(hydroxyamino)-2-phenylethanol
CID 12782000
2-(but-2-ynylamino)-2-phenylethanol
CID 63183049
(2R)-2-[[(1R)-1-(4-methylphenyl)but-3-enyl]amino]-2-phenylethanol
CID 11448905

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(but-3-enylamino)-2-phenylethanol?
The IUPAC name of (2R)-2-(but-3-enylamino)-2-phenylethanol (CID 14716014) is (2R)-2-(but-3-enylamino)-2-phenylethanol.
What is the SMILES notation for (2R)-2-(but-3-enylamino)-2-phenylethanol?
The canonical SMILES for (2R)-2-(but-3-enylamino)-2-phenylethanol is C=CCCN[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R)-2-(but-3-enylamino)-2-phenylethanol?
The InChIKey is OJVXOYRTGVJINN-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-3-9-13-12(10-14)11-7-5-4-6-8-11/h2,4-8,12-14H,1,3,9-10H2/t12-/m0/s1.
What are the key properties of (2R)-2-(but-3-enylamino)-2-phenylethanol?
(2R)-2-(but-3-enylamino)-2-phenylethanol has a molecular weight of 191.27 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(but-3-enylamino)-2-phenylethanol is sourced from PubChem (CID 14716014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).