(1R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyl-1-phenylpropane-1,3-diamine

C17H18ClF3N2 — CID 10268969

IUPAC(1R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyl-1-phenylpropane-1,3-diamine
SMILESCNCC[C@@H](Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1
InChIInChI=1S/C17H18ClF3N2/c1-22-10-9-15(12-5-3-2-4-6-12)23-16-11-13(17(19,20)21)7-8-14(16)18/h2-8,11,15,22-23H,9-10H2,1H3/t15-/m1/s1
InChIKeyFSKTULCOBFTYFO-OAHLLOKOSA-N
MW342.79 g/mol
LogP5.12
Rot. Bonds6

About (1R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyl-1-phenylpropane-1,3-diamine

(1R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyl-1-phenylpropane-1,3-diamine (PubChem CID 10268969) has the molecular formula C17H18ClF3N2 and a molecular weight of 342.79 g/mol. Its IUPAC name is (1R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound Name(1R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyl-1-phenylpropane-1,3-diamine
PubChem CID10268969
Molecular FormulaC17H18ClF3N2
Molecular Weight342.79 g/mol
Exact Mass342.11
IUPAC Name(1R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyl-1-phenylpropane-1,3-diamine
SMILESCNCC[C@@H](Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1
InChIInChI=1S/C17H18ClF3N2/c1-22-10-9-15(12-5-3-2-4-6-12)23-16-11-13(17(19,20)21)7-8-14(16)18/h2-8,11,15,22-23H,9-10H2,1H3/t15-/m1/s1
InChIKeyFSKTULCOBFTYFO-OAHLLOKOSA-N
XLogP5.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.79
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 18544546
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3,3-diphenylpropyl)urea
CID 17087721
2-chloro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)aniline
CID 43093717
2,5-dichloro-N-(1-phenylpentyl)aniline
CID 43757186
2,5-dichloro-N-(1-phenylhexyl)aniline
CID 63418391
2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 4117637
2-chloro-5-methyl-N-(1-phenylhexyl)aniline
CID 107631201
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1-phenylethyl)urea
CID 17087713
2-[acetyl(1-phenylethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113162087
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride
CID 44669843
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2-phenylpropylideneamino)thiourea
CID 4134519
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(diethylamino)ethylamino]-2-phenylacetamide
CID 2427757

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyl-1-phenylpropane-1,3-diamine?
The IUPAC name of (1R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyl-1-phenylpropane-1,3-diamine (CID 10268969) is (1R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for (1R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for (1R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyl-1-phenylpropane-1,3-diamine is CNCC[C@@H](Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1.
What is the InChIKey of (1R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyl-1-phenylpropane-1,3-diamine?
The InChIKey is FSKTULCOBFTYFO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18ClF3N2/c1-22-10-9-15(12-5-3-2-4-6-12)23-16-11-13(17(19,20)21)7-8-14(16)18/h2-8,11,15,22-23H,9-10H2,1H3/t15-/m1/s1.
What are the key properties of (1R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyl-1-phenylpropane-1,3-diamine?
(1R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyl-1-phenylpropane-1,3-diamine has a molecular weight of 342.79 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 10268969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).