N-[(2-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine

C16H15ClF3N — CID 62790911

IUPACN-[(2-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(C(F)(F)F)cc1)c1ccccc1Cl
InChIInChI=1S/C16H15ClF3N/c1-2-21-15(13-5-3-4-6-14(13)17)11-7-9-12(10-8-11)16(18,19)20/h3-10,15,21H,2H2,1H3
InChIKeyZJNIVLOWGNYELA-UHFFFAOYSA-N
MW313.75 g/mol
LogP5.06
Rot. Bonds4

About N-[(2-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine

N-[(2-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 62790911) has the molecular formula C16H15ClF3N and a molecular weight of 313.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID62790911
Molecular FormulaC16H15ClF3N
Molecular Weight313.75 g/mol
Exact Mass313.08
IUPAC NameN-[(2-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(C(F)(F)F)cc1)c1ccccc1Cl
InChIInChI=1S/C16H15ClF3N/c1-2-21-15(13-5-3-4-6-14(13)17)11-7-9-12(10-8-11)16(18,19)20/h3-10,15,21H,2H2,1H3
InChIKeyZJNIVLOWGNYELA-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.75
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62789996
N-[(2-chlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 61030250
N-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine
CID 102753616
N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102840771
N-[(4-iodophenyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115853842
N-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62802970
N-[(2-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 43488296
N-[(2-bromophenyl)-(4-tert-butylphenyl)methyl]ethanamine
CID 43491265
N-[(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methyl]ethanamine
CID 115801146
N-[(2-chloro-4,5-difluorophenyl)-(2-chlorophenyl)methyl]ethanamine
CID 107476507
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine
CID 43489020
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 61030140

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[(2-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine (CID 62790911) is N-[(2-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(2-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine is CCNC(c1ccc(C(F)(F)F)cc1)c1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is ZJNIVLOWGNYELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N/c1-2-21-15(13-5-3-4-6-14(13)17)11-7-9-12(10-8-11)16(18,19)20/h3-10,15,21H,2H2,1H3.
What are the key properties of N-[(2-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine?
N-[(2-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 313.75 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 62790911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).