2-[4-[(Z)-1,3-bis(4-chlorophenyl)-2-methylprop-1-enyl]phenoxy]-N,N-dimethylethanamine

C26H27Cl2NO — CID 162640325

IUPAC2-[4-[(Z)-1,3-bis(4-chlorophenyl)-2-methylprop-1-enyl]phenoxy]-N,N-dimethylethanamine
SMILESC/C(Cc1ccc(Cl)cc1)=C(/c1ccc(Cl)cc1)c1ccc(OCCN(C)C)cc1
InChIInChI=1S/C26H27Cl2NO/c1-19(18-20-4-10-23(27)11-5-20)26(21-6-12-24(28)13-7-21)22-8-14-25(15-9-22)30-17-16-29(2)3/h4-15H,16-18H2,1-3H3/b26-19+
InChIKeyAJSZMZYSNLNAEB-LGUFXXKBSA-N
MW440.41 g/mol
LogP7.00
Rot. Bonds8

About 2-[4-[(Z)-1,3-bis(4-chlorophenyl)-2-methylprop-1-enyl]phenoxy]-N,N-dimethylethanamine

2-[4-[(Z)-1,3-bis(4-chlorophenyl)-2-methylprop-1-enyl]phenoxy]-N,N-dimethylethanamine (PubChem CID 162640325) has the molecular formula C26H27Cl2NO and a molecular weight of 440.41 g/mol. Its IUPAC name is 2-[4-[(Z)-1,3-bis(4-chlorophenyl)-2-methylprop-1-enyl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[(Z)-1,3-bis(4-chlorophenyl)-2-methylprop-1-enyl]phenoxy]-N,N-dimethylethanamine
PubChem CID162640325
Molecular FormulaC26H27Cl2NO
Molecular Weight440.41 g/mol
Exact Mass439.15
IUPAC Name2-[4-[(Z)-1,3-bis(4-chlorophenyl)-2-methylprop-1-enyl]phenoxy]-N,N-dimethylethanamine
SMILESC/C(Cc1ccc(Cl)cc1)=C(/c1ccc(Cl)cc1)c1ccc(OCCN(C)C)cc1
InChIInChI=1S/C26H27Cl2NO/c1-19(18-20-4-10-23(27)11-5-20)26(21-6-12-24(28)13-7-21)22-8-14-25(15-9-22)30-17-16-29(2)3/h4-15H,16-18H2,1-3H3/b26-19+
InChIKeyAJSZMZYSNLNAEB-LGUFXXKBSA-N
XLogP7.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.41
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[(Z)-1,3-bis(4-chlorophenyl)-2-methylprop-1-enyl]phenoxy]-N,N-dimethylethanamine with MolForge

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Related Compounds

2-[4-[(Z)-4-chloro-1,2-bis(4-chlorophenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 10116364
1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-one;hydrochloride
CID 3079549
2-[4-[(E)-4-chloro-2-(4-chlorophenyl)-1-(4-methoxyphenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 10205424
(2S)-1-(4-chlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-ol
CID 125466418
(4-chlorophenyl)-[4-[2-(dimethylamino)ethoxy]phenyl]borinic acid
CID 66918163
3-[4-[(Z)-1-(4-chlorophenyl)-2-(4-fluoro-3-methoxyphenyl)prop-1-enyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 162640322
N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
CID 112792734
3-[4-[(Z)-1-(4-chlorophenyl)-2-(4-methoxyphenyl)but-1-enyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 155806144
3-[4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 162640369
2-[4-[2-(dimethylamino)ethoxy]phenyl]ethanol
CID 83390498
2,4-dichloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15137000
3-[4-[2-(4-chlorophenyl)acetyl]phenoxy]propanoic acid
CID 146594189

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-1,3-bis(4-chlorophenyl)-2-methylprop-1-enyl]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[(Z)-1,3-bis(4-chlorophenyl)-2-methylprop-1-enyl]phenoxy]-N,N-dimethylethanamine (CID 162640325) is 2-[4-[(Z)-1,3-bis(4-chlorophenyl)-2-methylprop-1-enyl]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[(Z)-1,3-bis(4-chlorophenyl)-2-methylprop-1-enyl]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[(Z)-1,3-bis(4-chlorophenyl)-2-methylprop-1-enyl]phenoxy]-N,N-dimethylethanamine is C/C(Cc1ccc(Cl)cc1)=C(/c1ccc(Cl)cc1)c1ccc(OCCN(C)C)cc1.
What is the InChIKey of 2-[4-[(Z)-1,3-bis(4-chlorophenyl)-2-methylprop-1-enyl]phenoxy]-N,N-dimethylethanamine?
The InChIKey is AJSZMZYSNLNAEB-LGUFXXKBSA-N. The full InChI is InChI=1S/C26H27Cl2NO/c1-19(18-20-4-10-23(27)11-5-20)26(21-6-12-24(28)13-7-21)22-8-14-25(15-9-22)30-17-16-29(2)3/h4-15H,16-18H2,1-3H3/b26-19+.
What are the key properties of 2-[4-[(Z)-1,3-bis(4-chlorophenyl)-2-methylprop-1-enyl]phenoxy]-N,N-dimethylethanamine?
2-[4-[(Z)-1,3-bis(4-chlorophenyl)-2-methylprop-1-enyl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 440.41 g/mol, XLogP of 7.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-1,3-bis(4-chlorophenyl)-2-methylprop-1-enyl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 162640325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).