N,N-dimethyl-1-[2-[3-(trifluoromethoxy)phenyl]phenyl]methanamine

C16H16F3NO — CID 139942776

IUPACN,N-dimethyl-1-[2-[3-(trifluoromethoxy)phenyl]phenyl]methanamine
SMILESCN(C)Cc1ccccc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-20(2)11-13-6-3-4-9-15(13)12-7-5-8-14(10-12)21-16(17,18)19/h3-10H,11H2,1-2H3
InChIKeyCWXSPSKOJDAGRK-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.31
Rot. Bonds4

About N,N-dimethyl-1-[2-[3-(trifluoromethoxy)phenyl]phenyl]methanamine

N,N-dimethyl-1-[2-[3-(trifluoromethoxy)phenyl]phenyl]methanamine (PubChem CID 139942776) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[3-(trifluoromethoxy)phenyl]phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-[3-(trifluoromethoxy)phenyl]phenyl]methanamine
PubChem CID139942776
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN,N-dimethyl-1-[2-[3-(trifluoromethoxy)phenyl]phenyl]methanamine
SMILESCN(C)Cc1ccccc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-20(2)11-13-6-3-4-9-15(13)12-7-5-8-14(10-12)21-16(17,18)19/h3-10H,11H2,1-2H3
InChIKeyCWXSPSKOJDAGRK-UHFFFAOYSA-N
XLogP4.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[3-(trifluoromethoxy)phenyl]phenyl]methyl]ethanamine
CID 62918232
N-methyl-2-[2-[3-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 46212144
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
CID 57085724
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-[2-chloro-3-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 119009643
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
N,N-dimethyl-1-[2-(3-propan-2-ylphenyl)phenyl]methanamine;hydrochloride
CID 139942773
2-methyl-3-[3-(trifluoromethoxy)phenyl]aniline
CID 107626546
2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228226
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene
CID 145460723

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-[3-(trifluoromethoxy)phenyl]phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-[3-(trifluoromethoxy)phenyl]phenyl]methanamine (CID 139942776) is N,N-dimethyl-1-[2-[3-(trifluoromethoxy)phenyl]phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-[3-(trifluoromethoxy)phenyl]phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-[3-(trifluoromethoxy)phenyl]phenyl]methanamine is CN(C)Cc1ccccc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-1-[2-[3-(trifluoromethoxy)phenyl]phenyl]methanamine?
The InChIKey is CWXSPSKOJDAGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-20(2)11-13-6-3-4-9-15(13)12-7-5-8-14(10-12)21-16(17,18)19/h3-10H,11H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[2-[3-(trifluoromethoxy)phenyl]phenyl]methanamine?
N,N-dimethyl-1-[2-[3-(trifluoromethoxy)phenyl]phenyl]methanamine has a molecular weight of 295.30 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-[3-(trifluoromethoxy)phenyl]phenyl]methanamine is sourced from PubChem (CID 139942776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).