(Z)-4-(benzhydrylamino)but-2-en-1-ol

C17H19NO — CID 139636767

IUPAC(Z)-4-(benzhydrylamino)but-2-en-1-ol
SMILESOC/C=C\CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO/c19-14-8-7-13-18-17(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-12,17-19H,13-14H2/b8-7-
InChIKeyUQTSIGALFFTHEQ-FPLPWBNLSA-N
MW253.35 g/mol
LogP2.91
Rot. Bonds6

About (Z)-4-(benzhydrylamino)but-2-en-1-ol

(Z)-4-(benzhydrylamino)but-2-en-1-ol (PubChem CID 139636767) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (Z)-4-(benzhydrylamino)but-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4-(benzhydrylamino)but-2-en-1-ol
PubChem CID139636767
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(Z)-4-(benzhydrylamino)but-2-en-1-ol
SMILESOC/C=C\CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO/c19-14-8-7-13-18-17(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-12,17-19H,13-14H2/b8-7-
InChIKeyUQTSIGALFFTHEQ-FPLPWBNLSA-N
XLogP2.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 51371244
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(2E)-4-phenylhexa-2,5-dien-1-ol
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N-benzhydrylethanamine;ethane
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2-[(benzhydrylamino)methyl]prop-2-enoic acid
CID 103237178
2-(benzhydrylamino)propan-1-ol
CID 43499566
(Z)-4-phenylpent-2-en-1-ol
CID 10725679
CID 101008835
CID 101008835
N-[4-[(benzhydrylamino)methyl]phenyl]acetamide
CID 27654523
2-(benzhydrylamino)-N-(4-hydroxyphenyl)acetamide
CID 34683511
2-(benzhydrylamino)-1-(4-benzylpiperazin-1-yl)ethanone
CID 55345495
3-(benzhydrylamino)-2-phenylpropan-1-ol;perchloric acid
CID 87261260

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(benzhydrylamino)but-2-en-1-ol?
The IUPAC name of (Z)-4-(benzhydrylamino)but-2-en-1-ol (CID 139636767) is (Z)-4-(benzhydrylamino)but-2-en-1-ol.
What is the SMILES notation for (Z)-4-(benzhydrylamino)but-2-en-1-ol?
The canonical SMILES for (Z)-4-(benzhydrylamino)but-2-en-1-ol is OC/C=C\CNC(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-4-(benzhydrylamino)but-2-en-1-ol?
The InChIKey is UQTSIGALFFTHEQ-FPLPWBNLSA-N. The full InChI is InChI=1S/C17H19NO/c19-14-8-7-13-18-17(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-12,17-19H,13-14H2/b8-7-.
What are the key properties of (Z)-4-(benzhydrylamino)but-2-en-1-ol?
(Z)-4-(benzhydrylamino)but-2-en-1-ol has a molecular weight of 253.35 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(benzhydrylamino)but-2-en-1-ol is sourced from PubChem (CID 139636767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).