(1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol

C15H21NO — CID 11064277

IUPAC(1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol
SMILESC=CCN(CC=C)[C@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C15H21NO/c1-4-11-16(12-5-2)13(3)15(17)14-9-7-6-8-10-14/h4-10,13,15,17H,1-2,11-12H2,3H3/t13-,15-/m1/s1
InChIKeyJIIURWPYHCVOGX-UKRRQHHQSA-N
MW231.34 g/mol
LogP2.78
Rot. Bonds7

About (1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol

(1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol (PubChem CID 11064277) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol
PubChem CID11064277
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol
SMILESC=CCN(CC=C)[C@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C15H21NO/c1-4-11-16(12-5-2)13(3)15(17)14-9-7-6-8-10-14/h4-10,13,15,17H,1-2,11-12H2,3H3/t13-,15-/m1/s1
InChIKeyJIIURWPYHCVOGX-UKRRQHHQSA-N
XLogP2.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-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-[[(2R)-2-hydroxypropyl]-prop-2-enylamino]-2-phenylacetic acid
CID 151553920
(1S,2R)-2-(dipropylamino)-1-phenylpropan-1-ol
CID 11118019
(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
CID 11484349
(2S)-2-[bis(prop-2-enyl)amino]-2-phenylacetic acid
CID 42179506
2-[bis(prop-2-enyl)amino]-2-phenylacetic acid
CID 22683784
(1R,2S)-1-phenyl-2-[[(1E,3S)-1-phenylhexa-1,5-dien-3-yl]-prop-2-enylamino]propan-1-ol
CID 101125405
(1S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 70156546
(1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 14112556
(1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol;hydrochloride
CID 169438778
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide
CID 118867302
(2R)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide
CID 118867301
2-[benzyl(prop-2-enyl)amino]-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CID 24938979

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol?
The IUPAC name of (1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol (CID 11064277) is (1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol is C=CCN(CC=C)[C@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of (1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol?
The InChIKey is JIIURWPYHCVOGX-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-11-16(12-5-2)13(3)15(17)14-9-7-6-8-10-14/h4-10,13,15,17H,1-2,11-12H2,3H3/t13-,15-/m1/s1.
What are the key properties of (1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol?
(1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 11064277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).