N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4-methyl-2-phenylpentan-1-amine

C20H23ClF3N — CID 69253156

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4-methyl-2-phenylpentan-1-amine
SMILESCC(C)CC(CNCc1cccc(C(F)(F)F)c1Cl)c1ccccc1
InChIInChI=1S/C20H23ClF3N/c1-14(2)11-17(15-7-4-3-5-8-15)13-25-12-16-9-6-10-18(19(16)21)20(22,23)24/h3-10,14,17,25H,11-13H2,1-2H3
InChIKeyCACZSLBZMWAQNW-UHFFFAOYSA-N
MW369.86 g/mol
LogP6.28
Rot. Bonds7

About N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4-methyl-2-phenylpentan-1-amine

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4-methyl-2-phenylpentan-1-amine (PubChem CID 69253156) has the molecular formula C20H23ClF3N and a molecular weight of 369.86 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4-methyl-2-phenylpentan-1-amine.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4-methyl-2-phenylpentan-1-amine
PubChem CID69253156
Molecular FormulaC20H23ClF3N
Molecular Weight369.86 g/mol
Exact Mass369.15
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4-methyl-2-phenylpentan-1-amine
SMILESCC(C)CC(CNCc1cccc(C(F)(F)F)c1Cl)c1ccccc1
InChIInChI=1S/C20H23ClF3N/c1-14(2)11-17(15-7-4-3-5-8-15)13-25-12-16-9-6-10-18(19(16)21)20(22,23)24/h3-10,14,17,25H,11-13H2,1-2H3
InChIKeyCACZSLBZMWAQNW-UHFFFAOYSA-N
XLogP6.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.86
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Clobenzorex hydrochloride
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N-(2-chloro-6-fluorobenzyl)-N-hexylamine
CID 1814789
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CID 11948819

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4-methyl-2-phenylpentan-1-amine?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4-methyl-2-phenylpentan-1-amine (CID 69253156) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4-methyl-2-phenylpentan-1-amine.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4-methyl-2-phenylpentan-1-amine?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4-methyl-2-phenylpentan-1-amine is CC(C)CC(CNCc1cccc(C(F)(F)F)c1Cl)c1ccccc1.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4-methyl-2-phenylpentan-1-amine?
The InChIKey is CACZSLBZMWAQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClF3N/c1-14(2)11-17(15-7-4-3-5-8-15)13-25-12-16-9-6-10-18(19(16)21)20(22,23)24/h3-10,14,17,25H,11-13H2,1-2H3.
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4-methyl-2-phenylpentan-1-amine?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4-methyl-2-phenylpentan-1-amine has a molecular weight of 369.86 g/mol, XLogP of 6.28, 7 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]-4-methyl-2-phenylpentan-1-amine is sourced from PubChem (CID 69253156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).