N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine

C19H19ClF3N — CID 69342626

IUPACN-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESFC(F)(F)c1cccc(CCNCc2ccc(C3CC3)cc2Cl)c1
InChIInChI=1S/C19H19ClF3N/c20-18-11-15(14-4-5-14)6-7-16(18)12-24-9-8-13-2-1-3-17(10-13)19(21,22)23/h1-3,6-7,10-11,14,24H,4-5,8-9,12H2
InChIKeyKROBXFODUBIIIE-UHFFFAOYSA-N
MW353.82 g/mol
LogP5.57
Rot. Bonds6

About N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine

N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 69342626) has the molecular formula C19H19ClF3N and a molecular weight of 353.82 g/mol. Its IUPAC name is N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID69342626
Molecular FormulaC19H19ClF3N
Molecular Weight353.82 g/mol
Exact Mass353.12
IUPAC NameN-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESFC(F)(F)c1cccc(CCNCc2ccc(C3CC3)cc2Cl)c1
InChIInChI=1S/C19H19ClF3N/c20-18-11-15(14-4-5-14)6-7-16(18)12-24-9-8-13-2-1-3-17(10-13)19(21,22)23/h1-3,6-7,10-11,14,24H,4-5,8-9,12H2
InChIKeyKROBXFODUBIIIE-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.82
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 69342626) is N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine is FC(F)(F)c1cccc(CCNCc2ccc(C3CC3)cc2Cl)c1.
What is the InChIKey of N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is KROBXFODUBIIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N/c20-18-11-15(14-4-5-14)6-7-16(18)12-24-9-8-13-2-1-3-17(10-13)19(21,22)23/h1-3,6-7,10-11,14,24H,4-5,8-9,12H2.
What are the key properties of N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine?
N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 353.82 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 69342626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).