[4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride

C15H15ClF3NO — CID 168665249

IUPAC[4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
SMILESCOc1cc(C(F)(F)F)ccc1-c1ccc(CN)cc1.Cl
InChIInChI=1S/C15H14F3NO.ClH/c1-20-14-8-12(15(16,17)18)6-7-13(14)11-4-2-10(9-19)3-5-11;/h2-8H,9,19H2,1H3;1H
InChIKeyKRVXMFHFZYRKKE-UHFFFAOYSA-N
MW317.74 g/mol
LogP4.26
Rot. Bonds3

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

[4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride (PubChem CID 168665249) has the molecular formula C15H15ClF3NO and a molecular weight of 317.74 g/mol. Its IUPAC name is [4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
PubChem CID168665249
Molecular FormulaC15H15ClF3NO
Molecular Weight317.74 g/mol
Exact Mass317.08
IUPAC Name[4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
SMILESCOc1cc(C(F)(F)F)ccc1-c1ccc(CN)cc1.Cl
InChIInChI=1S/C15H14F3NO.ClH/c1-20-14-8-12(15(16,17)18)6-7-13(14)11-4-2-10(9-19)3-5-11;/h2-8H,9,19H2,1H3;1H
InChIKeyKRVXMFHFZYRKKE-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[4-(1,1-difluoroethyl)phenyl]-5-methoxy-4-methylphenyl]methanamine
CID 168904542
3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine
CID 46317325
2-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 155973060
2-(2,5-dimethoxyphenyl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine
CID 161269698
[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631582
[4-(2-fluoro-4-methoxyphenyl)phenyl]methanamine
CID 61034326
3,3-difluoro-3-[3-methoxy-4-(4-methylphenyl)phenyl]propanal
CID 142387203
4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627944
5-[2-fluoro-4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]pyrazin-2-amine
CID 90313982
2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol
CID 146557266
O-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117315137
1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 167530944

Frequently Asked Questions

What is the IUPAC name of [4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride?
The IUPAC name of [4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride (CID 168665249) is [4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride is COc1cc(C(F)(F)F)ccc1-c1ccc(CN)cc1.Cl.
What is the InChIKey of [4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride?
The InChIKey is KRVXMFHFZYRKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO.ClH/c1-20-14-8-12(15(16,17)18)6-7-13(14)11-4-2-10(9-19)3-5-11;/h2-8H,9,19H2,1H3;1H.
What are the key properties of [4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride?
[4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride has a molecular weight of 317.74 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 168665249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).