5-(3-chlorophenyl)-5-(4-chlorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine

C21H25Cl2N — CID 158245364

IUPAC5-(3-chlorophenyl)-5-(4-chlorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine
SMILESCC(CC(C)CN(C)C)=C(c1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C21H25Cl2N/c1-15(14-24(3)4)12-16(2)21(17-8-10-19(22)11-9-17)18-6-5-7-20(23)13-18/h5-11,13,15H,12,14H2,1-4H3
InChIKeyGGAZBANUZFIEDW-UHFFFAOYSA-N
MW362.34 g/mol
LogP6.40
Rot. Bonds6

About 5-(3-chlorophenyl)-5-(4-chlorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine

5-(3-chlorophenyl)-5-(4-chlorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine (PubChem CID 158245364) has the molecular formula C21H25Cl2N and a molecular weight of 362.34 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-5-(4-chlorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-5-(4-chlorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine
PubChem CID158245364
Molecular FormulaC21H25Cl2N
Molecular Weight362.34 g/mol
Exact Mass361.14
IUPAC Name5-(3-chlorophenyl)-5-(4-chlorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine
SMILESCC(CC(C)CN(C)C)=C(c1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C21H25Cl2N/c1-15(14-24(3)4)12-16(2)21(17-8-10-19(22)11-9-17)18-6-5-7-20(23)13-18/h5-11,13,15H,12,14H2,1-4H3
InChIKeyGGAZBANUZFIEDW-UHFFFAOYSA-N
XLogP6.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.34
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one
CID 11747400
6-(2-chlorophenyl)-5-(4-chlorophenyl)-N,N,2,4-tetramethylhex-4-en-1-amine
CID 152693245
3-[(Z)-1-[4-(4-chlorophenyl)phenyl]-3-(dimethylamino)-2-methylprop-1-enyl]phenol
CID 15411191
3-[(E)-1-[4-(4-chlorophenyl)phenyl]-3-(dimethylamino)-2-methylprop-1-enyl]phenol;hydrochloride
CID 70252245
(2R)-2-amino-1-(3-chlorophenyl)propan-1-one
CID 58665961
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796175
1-(3-chlorophenyl)ethanone;1-(3-chlorophenyl)-2-methylpropan-1-one
CID 157068093
methyl 3-[(3-chlorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008439
1-(3-chlorophenyl)ethanethione
CID 89040141
1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428684
(2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
CID 102183228

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-5-(4-chlorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine?
The IUPAC name of 5-(3-chlorophenyl)-5-(4-chlorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine (CID 158245364) is 5-(3-chlorophenyl)-5-(4-chlorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-5-(4-chlorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine?
The canonical SMILES for 5-(3-chlorophenyl)-5-(4-chlorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine is CC(CC(C)CN(C)C)=C(c1ccc(Cl)cc1)c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-5-(4-chlorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine?
The InChIKey is GGAZBANUZFIEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N/c1-15(14-24(3)4)12-16(2)21(17-8-10-19(22)11-9-17)18-6-5-7-20(23)13-18/h5-11,13,15H,12,14H2,1-4H3.
What are the key properties of 5-(3-chlorophenyl)-5-(4-chlorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine?
5-(3-chlorophenyl)-5-(4-chlorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine has a molecular weight of 362.34 g/mol, XLogP of 6.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-5-(4-chlorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine is sourced from PubChem (CID 158245364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).