[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine

C15H13ClF3NO — CID 61389023

IUPAC[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2cccc(C(F)(F)F)c2)c(Cl)c1
InChIInChI=1S/C15H13ClF3NO/c16-13-7-10(8-20)4-5-14(13)21-9-11-2-1-3-12(6-11)15(17,18)19/h1-7H,8-9,20H2
InChIKeyIQPRKKHKUWGUNS-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.40
Rot. Bonds4

About [3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine

[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine (PubChem CID 61389023) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is [3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
PubChem CID61389023
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2cccc(C(F)(F)F)c2)c(Cl)c1
InChIInChI=1S/C15H13ClF3NO/c16-13-7-10(8-20)4-5-14(13)21-9-11-2-1-3-12(6-11)15(17,18)19/h1-7H,8-9,20H2
InChIKeyIQPRKKHKUWGUNS-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-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 25235984
[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 43147467
[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]methanamine
CID 116788441
[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine
CID 62669892
3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-amine
CID 170867877
2-chloro-1-[(3-ethenylphenyl)methoxy]-4-(trifluoromethyl)benzene
CID 155146173
2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene
CID 91658261
2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 63536063
[3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 102855702
[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 58104277
2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788028
[3-chloro-4-[(3,5-dimethylphenyl)methoxy]phenyl]methanamine
CID 54983856

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine?
The IUPAC name of [3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine (CID 61389023) is [3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine?
The canonical SMILES for [3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine is NCc1ccc(OCc2cccc(C(F)(F)F)c2)c(Cl)c1.
What is the InChIKey of [3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine?
The InChIKey is IQPRKKHKUWGUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-13-7-10(8-20)4-5-14(13)21-9-11-2-1-3-12(6-11)15(17,18)19/h1-7H,8-9,20H2.
What are the key properties of [3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine?
[3-chloro-4-[[3-(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 [3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine is sourced from PubChem (CID 61389023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).