N,N-dimethyl-3-[3-methyl-5-(trifluoromethoxy)phenyl]propan-1-amine

C13H18F3NO — CID 170866091

IUPACN,N-dimethyl-3-[3-methyl-5-(trifluoromethoxy)phenyl]propan-1-amine
SMILESCc1cc(CCCN(C)C)cc(OC(F)(F)F)c1
InChIInChI=1S/C13H18F3NO/c1-10-7-11(5-4-6-17(2)3)9-12(8-10)18-13(14,15)16/h7-9H,4-6H2,1-3H3
InChIKeyLDSFHYJIXNBECM-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.39
Rot. Bonds5

About N,N-dimethyl-3-[3-methyl-5-(trifluoromethoxy)phenyl]propan-1-amine

N,N-dimethyl-3-[3-methyl-5-(trifluoromethoxy)phenyl]propan-1-amine (PubChem CID 170866091) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-methyl-5-(trifluoromethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-methyl-5-(trifluoromethoxy)phenyl]propan-1-amine
PubChem CID170866091
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN,N-dimethyl-3-[3-methyl-5-(trifluoromethoxy)phenyl]propan-1-amine
SMILESCc1cc(CCCN(C)C)cc(OC(F)(F)F)c1
InChIInChI=1S/C13H18F3NO/c1-10-7-11(5-4-6-17(2)3)9-12(8-10)18-13(14,15)16/h7-9H,4-6H2,1-3H3
InChIKeyLDSFHYJIXNBECM-UHFFFAOYSA-N
XLogP3.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine
CID 58563398
4-[2-[3-methyl-5-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine
CID 118600979
2-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]ethanamine
CID 90212514
2-[3-(2-hydroxyethyl)-5-(trifluoromethoxy)phenyl]ethanol
CID 170887317
1-fluoro-3-propyl-5-(trifluoromethoxy)benzene
CID 142581036
5-[3-(dimethylamino)propyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
CID 142721652
3-(4-ethoxy-3,5-dimethylphenyl)-N,N-dimethylpropan-1-amine
CID 170866561
N,N-dimethyl-3-[3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine
CID 170866457
N',N'-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 83325765
5-[7-[3,5-dimethyl-4-[4-(trifluoromethoxy)phenyl]phenyl]heptyl]-1,3-dimethyl-2-[4-(trifluoromethoxy)phenyl]benzene
CID 144502444
4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine
CID 141112133
5-[3-(dimethylamino)propyl]benzene-1,2,3-triol
CID 170865399

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-methyl-5-(trifluoromethoxy)phenyl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[3-methyl-5-(trifluoromethoxy)phenyl]propan-1-amine (CID 170866091) is N,N-dimethyl-3-[3-methyl-5-(trifluoromethoxy)phenyl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[3-methyl-5-(trifluoromethoxy)phenyl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[3-methyl-5-(trifluoromethoxy)phenyl]propan-1-amine is Cc1cc(CCCN(C)C)cc(OC(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-3-[3-methyl-5-(trifluoromethoxy)phenyl]propan-1-amine?
The InChIKey is LDSFHYJIXNBECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-10-7-11(5-4-6-17(2)3)9-12(8-10)18-13(14,15)16/h7-9H,4-6H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[3-methyl-5-(trifluoromethoxy)phenyl]propan-1-amine?
N,N-dimethyl-3-[3-methyl-5-(trifluoromethoxy)phenyl]propan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-methyl-5-(trifluoromethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 170866091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).