2-[N-methyl-C-(2-phenylpropyl)carbonimidoyl]phenol

C17H19NO — CID 155745969

IUPAC2-[N-methyl-C-(2-phenylpropyl)carbonimidoyl]phenol
SMILESC/N=C(\CC(C)c1ccccc1)c1ccccc1O
InChIInChI=1S/C17H19NO/c1-13(14-8-4-3-5-9-14)12-16(18-2)15-10-6-7-11-17(15)19/h3-11,13,19H,12H2,1-2H3/b18-16+
InChIKeyUOASFQNZBNDRKP-FBMGVBCBSA-N
MW253.35 g/mol
LogP4.00
Rot. Bonds4

About 2-[N-methyl-C-(2-phenylpropyl)carbonimidoyl]phenol

2-[N-methyl-C-(2-phenylpropyl)carbonimidoyl]phenol (PubChem CID 155745969) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[N-methyl-C-(2-phenylpropyl)carbonimidoyl]phenol.

Molecular Properties

Compound Name2-[N-methyl-C-(2-phenylpropyl)carbonimidoyl]phenol
PubChem CID155745969
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2-[N-methyl-C-(2-phenylpropyl)carbonimidoyl]phenol
SMILESC/N=C(\CC(C)c1ccccc1)c1ccccc1O
InChIInChI=1S/C17H19NO/c1-13(14-8-4-3-5-9-14)12-16(18-2)15-10-6-7-11-17(15)19/h3-11,13,19H,12H2,1-2H3/b18-16+
InChIKeyUOASFQNZBNDRKP-FBMGVBCBSA-N
XLogP4.00
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[N-methyl-C-(2-phenylpropyl)carbonimidoyl]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

1-[2-[(E)-but-2-en-2-yl]phenyl]-N-methyl-3-phenylbutan-1-imine
CID 142806916
2-[(3S)-3-phenylbutanoyl]benzoic acid
CID 58351071
3-(3,4-dimethylphenyl)-N-methyl-1-(4-methylnaphthalen-1-yl)butan-1-imine
CID 153334393
(1Z)-N-hydroxy-3-phenylbutanimidoyl chloride
CID 106892063
(3S)-3-phenylbutanoate
CID 6950118
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
3,4-bis(2-phenylpropyl)-1H-pyrrole-2,5-diol
CID 90890207
2-[N-[(1S,2S)-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-1,2-diphenylethyl]-C-phenylcarbonimidoyl]phenol
CID 136694433
bis(2-aminoacetic acid);3-phenylbutanoic acid
CID 19068405
N-methyl-2-(3-phenylbutanoylamino)benzamide
CID 110606644
[(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-hydroxybenzoate
CID 7797799

Frequently Asked Questions

What is the IUPAC name of 2-[N-methyl-C-(2-phenylpropyl)carbonimidoyl]phenol?
The IUPAC name of 2-[N-methyl-C-(2-phenylpropyl)carbonimidoyl]phenol (CID 155745969) is 2-[N-methyl-C-(2-phenylpropyl)carbonimidoyl]phenol.
What is the SMILES notation for 2-[N-methyl-C-(2-phenylpropyl)carbonimidoyl]phenol?
The canonical SMILES for 2-[N-methyl-C-(2-phenylpropyl)carbonimidoyl]phenol is C/N=C(\CC(C)c1ccccc1)c1ccccc1O.
What is the InChIKey of 2-[N-methyl-C-(2-phenylpropyl)carbonimidoyl]phenol?
The InChIKey is UOASFQNZBNDRKP-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H19NO/c1-13(14-8-4-3-5-9-14)12-16(18-2)15-10-6-7-11-17(15)19/h3-11,13,19H,12H2,1-2H3/b18-16+.
What are the key properties of 2-[N-methyl-C-(2-phenylpropyl)carbonimidoyl]phenol?
2-[N-methyl-C-(2-phenylpropyl)carbonimidoyl]phenol has a molecular weight of 253.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-methyl-C-(2-phenylpropyl)carbonimidoyl]phenol is sourced from PubChem (CID 155745969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).