4-chloro-2-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]phenol

C17H17ClN2O — CID 166451731

IUPAC4-chloro-2-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]phenol
SMILESCN(C)c1ccc(C=C/C=N/c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C17H17ClN2O/c1-20(2)15-8-5-13(6-9-15)4-3-11-19-16-12-14(18)7-10-17(16)21/h3-12,21H,1-2H3/b4-3?,19-11+
InChIKeyCFEROFOLYHBYJD-ZZRQNPMWSA-N
MW300.79 g/mol
LogP4.53
Rot. Bonds4

About 4-chloro-2-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]phenol

4-chloro-2-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]phenol (PubChem CID 166451731) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 4-chloro-2-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]phenol.

Molecular Properties

Compound Name4-chloro-2-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]phenol
PubChem CID166451731
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name4-chloro-2-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]phenol
SMILESCN(C)c1ccc(C=C/C=N/c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C17H17ClN2O/c1-20(2)15-8-5-13(6-9-15)4-3-11-19-16-12-14(18)7-10-17(16)21/h3-12,21H,1-2H3/b4-3?,19-11+
InChIKeyCFEROFOLYHBYJD-ZZRQNPMWSA-N
XLogP4.53
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(2,5-dichlorophenyl)-3-phenylprop-2-en-1-imine
CID 122707265
4-[(E,3E)-3-[(3-chloro-2-pyridinyl)imino]prop-1-enyl]-N,N-dimethylaniline
CID 134095785
4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline
CID 58649433
2-[(E)-[(Z)-[(Z)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]hydrazinylidene]methyl]phenol
CID 136795131
4-chloro-2-(2,2-dimethylpropylideneamino)phenol
CID 130289575
4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline
CID 102311282
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
CID 10875699
2-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-4-phenylphenol
CID 6245849
N,N-dimethyl-4-[(1E,3E,5E)-6-(1-methylpyridin-1-ium-4-yl)hexa-1,3,5-trienyl]aniline
CID 20657517
5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hydroxybenzoic acid
CID 59595410

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]phenol?
The IUPAC name of 4-chloro-2-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]phenol (CID 166451731) is 4-chloro-2-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]phenol.
What is the SMILES notation for 4-chloro-2-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]phenol?
The canonical SMILES for 4-chloro-2-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]phenol is CN(C)c1ccc(C=C/C=N/c2cc(Cl)ccc2O)cc1.
What is the InChIKey of 4-chloro-2-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]phenol?
The InChIKey is CFEROFOLYHBYJD-ZZRQNPMWSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-20(2)15-8-5-13(6-9-15)4-3-11-19-16-12-14(18)7-10-17(16)21/h3-12,21H,1-2H3/b4-3?,19-11+.
What are the key properties of 4-chloro-2-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]phenol?
4-chloro-2-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]phenol has a molecular weight of 300.79 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]phenol is sourced from PubChem (CID 166451731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).