[2-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine

C15H13ClF3NO — CID 102723774

IUPAC[2-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C15H13ClF3NO/c16-14-7-13(6-3-11(14)8-20)21-9-10-1-4-12(5-2-10)15(17,18)19/h1-7H,8-9,20H2
InChIKeyPUQRSZUWLWOQSE-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.40
Rot. Bonds4

About [2-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine

[2-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine (PubChem CID 102723774) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is [2-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
PubChem CID102723774
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name[2-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C15H13ClF3NO/c16-14-7-13(6-3-11(14)8-20)21-9-10-1-4-12(5-2-10)15(17,18)19/h1-7H,8-9,20H2
InChIKeyPUQRSZUWLWOQSE-UHFFFAOYSA-N
XLogP4.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine
CID 105348964
3-[[2-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]pyrrolidin-2-one
CID 11383975
[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 63880371
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
[5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 107694821
2-(chloromethyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine
CID 14425986
4-[(4-tert-butylphenyl)methoxy]-2-chloroaniline
CID 63404633
[2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanamine
CID 102723760
2-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide
CID 60605202
1-tert-butyl-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]benzene
CID 69208043
4-chloro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenol
CID 142618666
2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 63536063

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine?
The IUPAC name of [2-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine (CID 102723774) is [2-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine.
What is the SMILES notation for [2-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine?
The canonical SMILES for [2-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine is NCc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1Cl.
What is the InChIKey of [2-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine?
The InChIKey is PUQRSZUWLWOQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-14-7-13(6-3-11(14)8-20)21-9-10-1-4-12(5-2-10)15(17,18)19/h1-7H,8-9,20H2.
What are the key properties of [2-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine?
[2-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine has a molecular weight of 315.72 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine is sourced from PubChem (CID 102723774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).