1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol

C19H23NO — CID 112818476

IUPAC1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol
SMILESC=CCN(Cc1ccccc1)CC(O)Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-2-13-20(15-18-11-7-4-8-12-18)16-19(21)14-17-9-5-3-6-10-17/h2-12,19,21H,1,13-16H2
InChIKeyBOQRDXPATHDANQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.28
Rot. Bonds8

About 1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol

1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol (PubChem CID 112818476) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol
PubChem CID112818476
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol
SMILESC=CCN(Cc1ccccc1)CC(O)Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-2-13-20(15-18-11-7-4-8-12-18)16-19(21)14-17-9-5-3-6-10-17/h2-12,19,21H,1,13-16H2
InChIKeyBOQRDXPATHDANQ-UHFFFAOYSA-N
XLogP3.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[benzyl(prop-2-enyl)amino]methyl]phenol
CID 11391135
(2R)-1-phenylpent-4-en-2-ol
CID 11309688
N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride
CID 173066031
N-benzyl-N-[(2-ethenylphenyl)methyl]prop-2-en-1-amine
CID 122203539
(2S)-1-phenylhex-5-en-2-ol
CID 102339258
1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-2-ol
CID 18985341
1-[benzyl-[(E)-but-2-enyl]amino]butan-2-ol
CID 13219301
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]hex-5-en-2-ol
CID 93164977
(E)-N-benzyl-2-bromo-N-prop-2-enylbut-2-en-1-amine
CID 10612741
N-benzyl-3-methyl-N-prop-2-enylbut-3-en-1-amine
CID 144634917
1-[benzyl-[(4-methylphenyl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 46007539
1-[(4-bromophenyl)methyl-methylamino]-3-phenylpropan-2-ol
CID 112810893

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol (CID 112818476) is 1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol is C=CCN(Cc1ccccc1)CC(O)Cc1ccccc1.
What is the InChIKey of 1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol?
The InChIKey is BOQRDXPATHDANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-13-20(15-18-11-7-4-8-12-18)16-19(21)14-17-9-5-3-6-10-17/h2-12,19,21H,1,13-16H2.
What are the key properties of 1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol?
1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 112818476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).