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

C19H16BrClF3N — CID 67187032

IUPACN-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(CNCc2ccc(Br)c3ccccc23)cc1
InChIInChI=1S/C19H15BrF3N.ClH/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;1H
InChIKeyFJUSHZVVBQDLFB-UHFFFAOYSA-N
MW430.70 g/mol
LogP6.33
Rot. Bonds4

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

N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 67187032) has the molecular formula C19H16BrClF3N and a molecular weight of 430.70 g/mol. Its IUPAC name is N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID67187032
Molecular FormulaC19H16BrClF3N
Molecular Weight430.70 g/mol
Exact Mass429.01
IUPAC NameN-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(CNCc2ccc(Br)c3ccccc23)cc1
InChIInChI=1S/C19H15BrF3N.ClH/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;1H
InChIKeyFJUSHZVVBQDLFB-UHFFFAOYSA-N
XLogP6.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.70
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-Bromo-1,2,3,4-tetrahydrobenzo[h]isoquinoline
CID 16216219
(E)-3-(4-bromophenyl)-N-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)prop-2-en-1-amine;hydrochloride
CID 127044325
2-[(4-Bromophenyl)methyl-(naphthalen-2-ylmethyl)amino]acetonitrile
CID 9998907
2-[(2-Bromophenyl)methyl-(naphthalen-2-ylmethyl)amino]acetonitrile
CID 10451457
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
CID 67187033
N-[(4-bromonaphthalen-1-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 67188581
cis-(1S,3R)-3-(4-bromophenyl)-N-[(1R)-1-(4-fluoronaphthalen-1-yl)ethyl]cyclopentan-1-amine
CID 67295985
cis-(1S,3R)-3-(3-bromophenyl)-N-[(1R)-1-(4-fluoronaphthalen-1-yl)ethyl]cyclopentan-1-amine
CID 67296405
(2-Bromo-5-trifluoromethyl-benzyl)-phenethyl-amine
CID 68614022

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 67187032) is N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride is Cl.FC(F)(F)c1ccc(CNCc2ccc(Br)c3ccccc23)cc1.
What is the InChIKey of N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is FJUSHZVVBQDLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrF3N.ClH/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;1H.
What are the key properties of N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride?
N-[(4-bromonaphthalen-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride has a molecular weight of 430.70 g/mol, XLogP of 6.33, 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;hydrochloride is sourced from PubChem (CID 67187032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).