4-N-[(4-chlorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine

C15H14ClF3N2 — CID 63402498

IUPAC4-N-[(4-chlorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCN(Cc1ccc(Cl)cc1)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C15H14ClF3N2/c1-21(9-10-2-4-11(16)5-3-10)12-6-7-14(20)13(8-12)15(17,18)19/h2-8H,9,20H2,1H3
InChIKeyKEGDDNIBHPRRRC-UHFFFAOYSA-N
MW314.74 g/mol
LogP4.58
Rot. Bonds3

About 4-N-[(4-chlorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine

4-N-[(4-chlorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 63402498) has the molecular formula C15H14ClF3N2 and a molecular weight of 314.74 g/mol. Its IUPAC name is 4-N-[(4-chlorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[(4-chlorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID63402498
Molecular FormulaC15H14ClF3N2
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC Name4-N-[(4-chlorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCN(Cc1ccc(Cl)cc1)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C15H14ClF3N2/c1-21(9-10-2-4-11(16)5-3-10)12-6-7-14(20)13(8-12)15(17,18)19/h2-8H,9,20H2,1H3
InChIKeyKEGDDNIBHPRRRC-UHFFFAOYSA-N
XLogP4.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-[(4-chlorophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123911
4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline
CID 63785395
4-N-[(4-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564315
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 105414185
1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 61414834
4-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-3-(trifluoromethyl)aniline
CID 43563877
4-N-[(3-chloro-4-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 103038289
4-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212691
4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 63276067
1-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]ethanol
CID 61415039
2-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyridin-4-amine
CID 102824052
N-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline
CID 39349545

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-chlorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-[(4-chlorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine (CID 63402498) is 4-N-[(4-chlorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-[(4-chlorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-[(4-chlorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine is CN(Cc1ccc(Cl)cc1)c1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-N-[(4-chlorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is KEGDDNIBHPRRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2/c1-21(9-10-2-4-11(16)5-3-10)12-6-7-14(20)13(8-12)15(17,18)19/h2-8H,9,20H2,1H3.
What are the key properties of 4-N-[(4-chlorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine?
4-N-[(4-chlorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 314.74 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-chlorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 63402498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).