[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride

C14H13ClF3NO — CID 133056705

IUPAC[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride
SMILESCl.NCc1cccc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H12F3NO.ClH/c15-14(16,17)11-4-2-6-13(8-11)19-12-5-1-3-10(7-12)9-18;/h1-8H,9,18H2;1H
InChIKeyVDIFUOQKJBSHOZ-UHFFFAOYSA-N
MW303.71 g/mol
LogP4.38
Rot. Bonds3

About [3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride

[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride (PubChem CID 133056705) has the molecular formula C14H13ClF3NO and a molecular weight of 303.71 g/mol. Its IUPAC name is [3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride
PubChem CID133056705
Molecular FormulaC14H13ClF3NO
Molecular Weight303.71 g/mol
Exact Mass303.06
IUPAC Name[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride
SMILESCl.NCc1cccc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H12F3NO.ClH/c15-14(16,17)11-4-2-6-13(8-11)19-12-5-1-3-10(7-12)9-18;/h1-8H,9,18H2;1H
InChIKeyVDIFUOQKJBSHOZ-UHFFFAOYSA-N
XLogP4.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 142071235
[3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride
CID 131887014
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 19627404
4-[3-(trifluoromethyl)phenoxy]aniline
CID 2760750
[3-(3-fluorophenoxy)phenyl]methanamine hydroxide
CID 86649819
5-[3-(trifluoromethyl)phenoxy]benzene-1,3-diamine
CID 126478251
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 3809622
3-(3-ethylphenoxy)-5-(trifluoromethyl)aniline
CID 82995318
[5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 63673150
4-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxamide
CID 154014977
[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine
CID 18407225

Frequently Asked Questions

What is the IUPAC name of [3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride?
The IUPAC name of [3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride (CID 133056705) is [3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride?
The canonical SMILES for [3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride is Cl.NCc1cccc(Oc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of [3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride?
The InChIKey is VDIFUOQKJBSHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO.ClH/c15-14(16,17)11-4-2-6-13(8-11)19-12-5-1-3-10(7-12)9-18;/h1-8H,9,18H2;1H.
What are the key properties of [3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride?
[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride has a molecular weight of 303.71 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 133056705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).