N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine

C17H17ClF3N — CID 68817029

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine
SMILESCC(CNCc1cccc(C(F)(F)F)c1Cl)c1ccccc1
InChIInChI=1S/C17H17ClF3N/c1-12(13-6-3-2-4-7-13)10-22-11-14-8-5-9-15(16(14)18)17(19,20)21/h2-9,12,22H,10-11H2,1H3
InChIKeyQZZYRMAMFHUPQD-UHFFFAOYSA-N
MW327.78 g/mol
LogP5.25
Rot. Bonds5

About N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine (PubChem CID 68817029) has the molecular formula C17H17ClF3N and a molecular weight of 327.78 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine
PubChem CID68817029
Molecular FormulaC17H17ClF3N
Molecular Weight327.78 g/mol
Exact Mass327.10
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine
SMILESCC(CNCc1cccc(C(F)(F)F)c1Cl)c1ccccc1
InChIInChI=1S/C17H17ClF3N/c1-12(13-6-3-2-4-7-13)10-22-11-14-8-5-9-15(16(14)18)17(19,20)21/h2-9,12,22H,10-11H2,1H3
InChIKeyQZZYRMAMFHUPQD-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.78
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 735998
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675
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CID 3034945
N-(2-chlorobenzyl)-1-phenylpropan-2-amine hydrochloride
CID 160796
[4-(4-Chloro-3-trifluoromethyl-phenyl)-1,2,3,4-tetrahydro-naphthalen-1-yl]-methyl-amine
CID 13408736
(2R)-4-(4-chlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 52514484
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine
CID 155523400
Clobenzorex hydrochloride
CID 71314913
Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl-
CID 3046410
N-(2-chloro-6-fluorobenzyl)-N-hexylamine
CID 1814789
N-(2-chlorobenzyl)-N-(2-chloro-6-fluorobenzyl)amine
CID 11948736
N-benzhydryl-N-(2-chloro-6-fluorobenzyl)amine
CID 11948819

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine (CID 68817029) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine is CC(CNCc1cccc(C(F)(F)F)c1Cl)c1ccccc1.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine?
The InChIKey is QZZYRMAMFHUPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N/c1-12(13-6-3-2-4-7-13)10-22-11-14-8-5-9-15(16(14)18)17(19,20)21/h2-9,12,22H,10-11H2,1H3.
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine has a molecular weight of 327.78 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 68817029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).