1-(4-methoxyphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine

C16H16F3NO — CID 43481712

IUPAC1-(4-methoxyphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(OC)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-20-15(11-6-8-14(21-2)9-7-11)12-4-3-5-13(10-12)16(17,18)19/h3-10,15,20H,1-2H3
InChIKeyRWJWHEGSIAJTQT-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.02
Rot. Bonds4

About 1-(4-methoxyphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine

1-(4-methoxyphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 43481712) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID43481712
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-(4-methoxyphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(OC)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-20-15(11-6-8-14(21-2)9-7-11)12-4-3-5-13(10-12)16(17,18)19/h3-10,15,20H,1-2H3
InChIKeyRWJWHEGSIAJTQT-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 62791846
1-(4-methoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43481682
N-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 115850612
3-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylaniline
CID 116951951
1-(3-methoxythiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 115850644
1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 60819656
1-(3-fluoro-5-methylphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 79697009
4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 43001289
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384
1-(4-chloro-3-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 107991860
1-(5-ethylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43480838

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine (CID 43481712) is 1-(4-methoxyphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine is CNC(c1ccc(OC)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is RWJWHEGSIAJTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-20-15(11-6-8-14(21-2)9-7-11)12-4-3-5-13(10-12)16(17,18)19/h3-10,15,20H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
1-(4-methoxyphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 295.30 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43481712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).