1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine

C25H25BrF3N — CID 137433407

IUPAC1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine
SMILESCc1cc(C)c(CN(Cc2ccc(Br)cc2)Cc2cccc(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C25H25BrF3N/c1-17-11-18(2)24(19(3)12-17)16-30(14-20-7-9-23(26)10-8-20)15-21-5-4-6-22(13-21)25(27,28)29/h4-13H,14-16H2,1-3H3
InChIKeyPAXPWUZKPBFVFL-UHFFFAOYSA-N
MW476.38 g/mol
LogP7.60
Rot. Bonds6

About 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine

1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine (PubChem CID 137433407) has the molecular formula C25H25BrF3N and a molecular weight of 476.38 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine
PubChem CID137433407
Molecular FormulaC25H25BrF3N
Molecular Weight476.38 g/mol
Exact Mass475.11
IUPAC Name1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine
SMILESCc1cc(C)c(CN(Cc2ccc(Br)cc2)Cc2cccc(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C25H25BrF3N/c1-17-11-18(2)24(19(3)12-17)16-30(14-20-7-9-23(26)10-8-20)15-21-5-4-6-22(13-21)25(27,28)29/h4-13H,14-16H2,1-3H3
InChIKeyPAXPWUZKPBFVFL-UHFFFAOYSA-N
XLogP7.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.38
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Biphenyl-2-ylmethyl-(3,5-bis-trifluoromethyl-benzyl)-methyl-amine
CID 44409000
(E)-N-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride
CID 127043679
(E)-3-(4-bromophenyl)-N-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)prop-2-en-1-amine;hydrochloride
CID 127044325
(E)-3-(4-bromophenyl)-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine;hydrochloride
CID 127045120
(1S)-11-[(4-bromophenyl)methyl]-11-azatricyclo[7.4.1.05,14]tetradeca-2,5(14),6,8-tetraene
CID 44142225
2-[(4-Bromophenyl)methyl-(naphthalen-2-ylmethyl)amino]acetonitrile
CID 9998907
2-[(2-Bromophenyl)methyl-(naphthalen-2-ylmethyl)amino]acetonitrile
CID 10451457
(1R)-N-[(4-bromophenyl)methyl]-N-methyl-1-(1-naphthyl)ethanamine
CID 72708650
(1R)-N-[(2-bromophenyl)methyl]-N-methyl-1-(1-naphthyl)ethanamine
CID 72708687
(1R)-N-[(3-bromophenyl)methyl]-N-methyl-1-(1-naphthyl)ethanamine
CID 72708721
N-methyl-1-(4-phenylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 134793797
N-methyl-1-(4-phenylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 134795231

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine (CID 137433407) is 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine is Cc1cc(C)c(CN(Cc2ccc(Br)cc2)Cc2cccc(C(F)(F)F)c2)c(C)c1.
What is the InChIKey of 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine?
The InChIKey is PAXPWUZKPBFVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrF3N/c1-17-11-18(2)24(19(3)12-17)16-30(14-20-7-9-23(26)10-8-20)15-21-5-4-6-22(13-21)25(27,28)29/h4-13H,14-16H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine?
1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine has a molecular weight of 476.38 g/mol, XLogP of 7.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-N-[(2,4,6-trimethylphenyl)methyl]methanamine is sourced from PubChem (CID 137433407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).