[2-chloro-6-[4-(trifluoromethoxy)phenyl]phenyl]methanamine

C14H11ClF3NO — CID 134631491

IUPAC[2-chloro-6-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
SMILESNCc1c(Cl)cccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H11ClF3NO/c15-13-3-1-2-11(12(13)8-19)9-4-6-10(7-5-9)20-14(16,17)18/h1-7H,8,19H2
InChIKeyYPHYLJJIJULDNB-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.36
Rot. Bonds3

About [2-chloro-6-[4-(trifluoromethoxy)phenyl]phenyl]methanamine

[2-chloro-6-[4-(trifluoromethoxy)phenyl]phenyl]methanamine (PubChem CID 134631491) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is [2-chloro-6-[4-(trifluoromethoxy)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
PubChem CID134631491
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name[2-chloro-6-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
SMILESNCc1c(Cl)cccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H11ClF3NO/c15-13-3-1-2-11(12(13)8-19)9-4-6-10(7-5-9)20-14(16,17)18/h1-7H,8,19H2
InChIKeyYPHYLJJIJULDNB-UHFFFAOYSA-N
XLogP4.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethoxy)aniline
CID 30055205
1-(chloromethyl)-2-fluoro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134626487
2-chloro-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119020781
1,2-difluoro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 118854668
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
2-[4-(trifluoromethoxy)phenyl]phenol
CID 23225048
2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449
[4-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089738
1,2,5-trichloro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119016233
2-chloro-1-nitro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119011135
1-(bromomethyl)-2-fluoro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134625614
2-[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]acetonitrile
CID 134631021

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[4-(trifluoromethoxy)phenyl]phenyl]methanamine?
The IUPAC name of [2-chloro-6-[4-(trifluoromethoxy)phenyl]phenyl]methanamine (CID 134631491) is [2-chloro-6-[4-(trifluoromethoxy)phenyl]phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-[4-(trifluoromethoxy)phenyl]phenyl]methanamine?
The canonical SMILES for [2-chloro-6-[4-(trifluoromethoxy)phenyl]phenyl]methanamine is NCc1c(Cl)cccc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [2-chloro-6-[4-(trifluoromethoxy)phenyl]phenyl]methanamine?
The InChIKey is YPHYLJJIJULDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c15-13-3-1-2-11(12(13)8-19)9-4-6-10(7-5-9)20-14(16,17)18/h1-7H,8,19H2.
What are the key properties of [2-chloro-6-[4-(trifluoromethoxy)phenyl]phenyl]methanamine?
[2-chloro-6-[4-(trifluoromethoxy)phenyl]phenyl]methanamine has a molecular weight of 301.70 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[4-(trifluoromethoxy)phenyl]phenyl]methanamine is sourced from PubChem (CID 134631491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).