N-[(3-chlorophenyl)methyl]-2,2,2-trifluoro-1-phenylethanamine

C15H13ClF3N — CID 62046972

IUPACN-[(3-chlorophenyl)methyl]-2,2,2-trifluoro-1-phenylethanamine
SMILESFC(F)(F)C(NCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H13ClF3N/c16-13-8-4-5-11(9-13)10-20-14(15(17,18)19)12-6-2-1-3-7-12/h1-9,14,20H,10H2
InChIKeyVYBVNDFZLPSBNX-UHFFFAOYSA-N
MW299.72 g/mol
LogP4.73
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-2,2,2-trifluoro-1-phenylethanamine

N-[(3-chlorophenyl)methyl]-2,2,2-trifluoro-1-phenylethanamine (PubChem CID 62046972) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2,2,2-trifluoro-1-phenylethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2,2,2-trifluoro-1-phenylethanamine
PubChem CID62046972
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC NameN-[(3-chlorophenyl)methyl]-2,2,2-trifluoro-1-phenylethanamine
SMILESFC(F)(F)C(NCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H13ClF3N/c16-13-8-4-5-11(9-13)10-20-14(15(17,18)19)12-6-2-1-3-7-12/h1-9,14,20H,10H2
InChIKeyVYBVNDFZLPSBNX-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol
CID 107230552
N-(3-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861058
2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine
CID 43433325
(1S)-N-benzyl-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 97184376
(1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine
CID 134943527
(1R)-N-benzyl-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 97184377
1-chloro-N-[(3-chlorophenyl)methyl]-3-phenylpropan-2-amine
CID 65025931
1-chloro-3-(2-chloro-2-phenylethyl)benzene
CID 4737542
N-[(3-chlorophenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
CID 78849601
N-[(3-chlorophenyl)methyl]-1-(2-fluorophenyl)propan-2-amine
CID 115592336
N-[(3-chlorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871542
(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363703

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2,2,2-trifluoro-1-phenylethanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2,2,2-trifluoro-1-phenylethanamine (CID 62046972) is N-[(3-chlorophenyl)methyl]-2,2,2-trifluoro-1-phenylethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2,2,2-trifluoro-1-phenylethanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2,2,2-trifluoro-1-phenylethanamine is FC(F)(F)C(NCc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2,2,2-trifluoro-1-phenylethanamine?
The InChIKey is VYBVNDFZLPSBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c16-13-8-4-5-11(9-13)10-20-14(15(17,18)19)12-6-2-1-3-7-12/h1-9,14,20H,10H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-2,2,2-trifluoro-1-phenylethanamine?
N-[(3-chlorophenyl)methyl]-2,2,2-trifluoro-1-phenylethanamine has a molecular weight of 299.72 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2,2,2-trifluoro-1-phenylethanamine is sourced from PubChem (CID 62046972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).