N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine

C19H15BrF3N — CID 67187033

IUPACN-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccc(CNCc2ccc(Br)c3ccccc23)cc1
InChIInChI=1S/C19H15BrF3N/c20-18-10-7-14(16-3-1-2-4-17(16)18)12-24-11-13-5-8-15(9-6-13)19(21,22)23/h1-10,24H,11-12H2
InChIKeyZRXYRKPOFBNRDN-UHFFFAOYSA-N
MW394.23 g/mol
LogP5.91
Rot. Bonds4

About N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine

N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 67187033) has the molecular formula C19H15BrF3N and a molecular weight of 394.23 g/mol. Its IUPAC name is N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID67187033
Molecular FormulaC19H15BrF3N
Molecular Weight394.23 g/mol
Exact Mass393.03
IUPAC NameN-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccc(CNCc2ccc(Br)c3ccccc23)cc1
InChIInChI=1S/C19H15BrF3N/c20-18-10-7-14(16-3-1-2-4-17(16)18)12-24-11-13-5-8-15(9-6-13)19(21,22)23/h1-10,24H,11-12H2
InChIKeyZRXYRKPOFBNRDN-UHFFFAOYSA-N
XLogP5.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.23
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]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

7-Bromo-1,2,3,4-tetrahydrobenzo[h]isoquinoline
CID 16216219
2-[(4-Bromophenyl)methyl-(naphthalen-2-ylmethyl)amino]acetonitrile
CID 9998907
2-[(2-Bromophenyl)methyl-(naphthalen-2-ylmethyl)amino]acetonitrile
CID 10451457
N-[(4-bromo-2,6-diphenylphenyl)methyl]-2,2,2-trifluoroacetamide
CID 101424449
1-(Aminomethyl)-4-bromonaphthalene
CID 17999126
(3,5-Bis-trifluoromethyl-benzyl)-(2-bromo-5-trifluoromethyl-benzyl)-amine
CID 58966440
N-(2-Bromo-4-methyl-5-(trifluoromethyl)benzyl)(3,5-bis(trifluoromethyl)phenyl)methanamine
CID 58968728
5-Bromo-1-(4-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline
CID 59536272
(1S)-1-(1-Bromonaphthalen-2-YL)-2,2,2-trifluoroethanamine
CID 66512546
N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 67187032
N-[(4-bromonaphthalen-1-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 67188581
Benzyl-(2-bromo-5-trifluoromethyl-benzyl)-amine
CID 67212329

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (CID 67187033) is N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is FC(F)(F)c1ccc(CNCc2ccc(Br)c3ccccc23)cc1.
What is the InChIKey of N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ZRXYRKPOFBNRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrF3N/c20-18-10-7-14(16-3-1-2-4-17(16)18)12-24-11-13-5-8-15(9-6-13)19(21,22)23/h1-10,24H,11-12H2.
What are the key properties of N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 394.23 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 67187033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).