(Z)-3-(4-chlorophenyl)-1-(3-methoxyphenyl)-N,N-dimethyl-3-methyliminoprop-1-en-1-amine

C19H21ClN2O — CID 142837982

IUPAC(Z)-3-(4-chlorophenyl)-1-(3-methoxyphenyl)-N,N-dimethyl-3-methyliminoprop-1-en-1-amine
SMILESC/N=C(/C=C(/c1cccc(OC)c1)N(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O/c1-21-18(14-8-10-16(20)11-9-14)13-19(22(2)3)15-6-5-7-17(12-15)23-4/h5-13H,1-4H3/b19-13-,21-18-
InChIKeyBWPOTGJVFYXTDF-QSIFSKDASA-N
MW328.84 g/mol
LogP4.37
Rot. Bonds5

About (Z)-3-(4-chlorophenyl)-1-(3-methoxyphenyl)-N,N-dimethyl-3-methyliminoprop-1-en-1-amine

(Z)-3-(4-chlorophenyl)-1-(3-methoxyphenyl)-N,N-dimethyl-3-methyliminoprop-1-en-1-amine (PubChem CID 142837982) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is (Z)-3-(4-chlorophenyl)-1-(3-methoxyphenyl)-N,N-dimethyl-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(4-chlorophenyl)-1-(3-methoxyphenyl)-N,N-dimethyl-3-methyliminoprop-1-en-1-amine
PubChem CID142837982
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name(Z)-3-(4-chlorophenyl)-1-(3-methoxyphenyl)-N,N-dimethyl-3-methyliminoprop-1-en-1-amine
SMILESC/N=C(/C=C(/c1cccc(OC)c1)N(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O/c1-21-18(14-8-10-16(20)11-9-14)13-19(22(2)3)15-6-5-7-17(12-15)23-4/h5-13H,1-4H3/b19-13-,21-18-
InChIKeyBWPOTGJVFYXTDF-QSIFSKDASA-N
XLogP4.37
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N'-(3-methoxyphenyl)-N,N-dimethylbenzenecarboximidamide
CID 525574
1-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]ethanimine
CID 791623
N-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide
CID 19368031
4-chloro-N'-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzohydrazide
CID 6033190
3-methoxy-N,N-dimethylbenzenecarboximidamide
CID 63182019
(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657
(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146658
bis((Z)-1-(3-methoxyphenyl)-3-methylimino-3-methylsulfanylprop-1-ene-1-thiolate);nickel(2+)
CID 10984592
1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412672
N-[1-(4-chlorophenyl)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
CID 86292915
(E)-3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 7784056
3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 78541367

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-chlorophenyl)-1-(3-methoxyphenyl)-N,N-dimethyl-3-methyliminoprop-1-en-1-amine?
The IUPAC name of (Z)-3-(4-chlorophenyl)-1-(3-methoxyphenyl)-N,N-dimethyl-3-methyliminoprop-1-en-1-amine (CID 142837982) is (Z)-3-(4-chlorophenyl)-1-(3-methoxyphenyl)-N,N-dimethyl-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-3-(4-chlorophenyl)-1-(3-methoxyphenyl)-N,N-dimethyl-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for (Z)-3-(4-chlorophenyl)-1-(3-methoxyphenyl)-N,N-dimethyl-3-methyliminoprop-1-en-1-amine is C/N=C(/C=C(/c1cccc(OC)c1)N(C)C)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-3-(4-chlorophenyl)-1-(3-methoxyphenyl)-N,N-dimethyl-3-methyliminoprop-1-en-1-amine?
The InChIKey is BWPOTGJVFYXTDF-QSIFSKDASA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-21-18(14-8-10-16(20)11-9-14)13-19(22(2)3)15-6-5-7-17(12-15)23-4/h5-13H,1-4H3/b19-13-,21-18-.
What are the key properties of (Z)-3-(4-chlorophenyl)-1-(3-methoxyphenyl)-N,N-dimethyl-3-methyliminoprop-1-en-1-amine?
(Z)-3-(4-chlorophenyl)-1-(3-methoxyphenyl)-N,N-dimethyl-3-methyliminoprop-1-en-1-amine has a molecular weight of 328.84 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-chlorophenyl)-1-(3-methoxyphenyl)-N,N-dimethyl-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 142837982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).