2-[benzyl-[(E)-prop-1-enyl]amino]phenol

C16H17NO — CID 141322708

IUPAC2-[benzyl-[(E)-prop-1-enyl]amino]phenol
SMILESC/C=C/N(Cc1ccccc1)c1ccccc1O
InChIInChI=1S/C16H17NO/c1-2-12-17(13-14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h2-12,18H,13H2,1H3/b12-2+
InChIKeyKUWPBHMFCISYSK-SWGQDTFXSA-N
MW239.32 g/mol
LogP3.93
Rot. Bonds4

About 2-[benzyl-[(E)-prop-1-enyl]amino]phenol

2-[benzyl-[(E)-prop-1-enyl]amino]phenol (PubChem CID 141322708) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[benzyl-[(E)-prop-1-enyl]amino]phenol.

Molecular Properties

Compound Name2-[benzyl-[(E)-prop-1-enyl]amino]phenol
PubChem CID141322708
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-[benzyl-[(E)-prop-1-enyl]amino]phenol
SMILESC/C=C/N(Cc1ccccc1)c1ccccc1O
InChIInChI=1S/C16H17NO/c1-2-12-17(13-14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h2-12,18H,13H2,1H3/b12-2+
InChIKeyKUWPBHMFCISYSK-SWGQDTFXSA-N
XLogP3.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[benzyl-[(E)-prop-1-enyl]amino]phenol 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

2-[amino(benzyl)amino]phenol
CID 151067188
N-benzyl-N-[(Z)-prop-1-enyl]acetamide
CID 68566363
N-[3-[benzyl(prop-1-enyl)amino]-4-methoxyphenyl]acetamide
CID 141427351
N-[(4-chlorophenyl)methyl]-N-(2-hydroxyphenyl)formamide
CID 135035742
3-(N-benzyl-4-methylanilino)prop-2-enal
CID 71326352
N,N-dibenzylbut-2-enamide
CID 71340814
methyl 2-[benzyl(prop-1-enyl)amino]acetate
CID 141322891
N,N-dibenzyl-2-methylbut-2-en-1-amine
CID 78088479
3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol
CID 141277151
2-[(N-benzylanilino)methylidene]propanedinitrile
CID 21489632
2-[(dibenzylamino)methyl]-4,5-dimethylphenol
CID 71582739
3-(N-benzylanilino)prop-2-enal
CID 71326354

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(E)-prop-1-enyl]amino]phenol?
The IUPAC name of 2-[benzyl-[(E)-prop-1-enyl]amino]phenol (CID 141322708) is 2-[benzyl-[(E)-prop-1-enyl]amino]phenol.
What is the SMILES notation for 2-[benzyl-[(E)-prop-1-enyl]amino]phenol?
The canonical SMILES for 2-[benzyl-[(E)-prop-1-enyl]amino]phenol is C/C=C/N(Cc1ccccc1)c1ccccc1O.
What is the InChIKey of 2-[benzyl-[(E)-prop-1-enyl]amino]phenol?
The InChIKey is KUWPBHMFCISYSK-SWGQDTFXSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-12-17(13-14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h2-12,18H,13H2,1H3/b12-2+.
What are the key properties of 2-[benzyl-[(E)-prop-1-enyl]amino]phenol?
2-[benzyl-[(E)-prop-1-enyl]amino]phenol has a molecular weight of 239.32 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(E)-prop-1-enyl]amino]phenol is sourced from PubChem (CID 141322708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).