3-[2-methoxy-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine

C13H18F3NO — CID 170865770

IUPAC3-[2-methoxy-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine
SMILESCOc1c(CCCN(C)C)cccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-17(2)9-5-7-10-6-4-8-11(12(10)18-3)13(14,15)16/h4,6,8H,5,7,9H2,1-3H3
InChIKeySVDMCDHQKAPTRI-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.21
Rot. Bonds5

About 3-[2-methoxy-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine

3-[2-methoxy-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine (PubChem CID 170865770) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-[2-methoxy-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-methoxy-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine
PubChem CID170865770
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name3-[2-methoxy-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine
SMILESCOc1c(CCCN(C)C)cccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-17(2)9-5-7-10-6-4-8-11(12(10)18-3)13(14,15)16/h4,6,8H,5,7,9H2,1-3H3
InChIKeySVDMCDHQKAPTRI-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(dimethylamino)propyl]-6-(trifluoromethyl)phenol
CID 170865710
3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866694
1-[2-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol
CID 117339947
1-[2-[2-methoxy-3-(trifluoromethyl)phenyl]ethyl]piperazine
CID 117465754
2-amino-3-[2-methoxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 117411854
3-(3-methoxy-2-nitrophenyl)-N,N-dimethylpropan-1-amine
CID 170865199
N,N-dimethyl-3-quinoxalin-5-ylpropan-1-amine
CID 170865869
3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866459
N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
CID 174059419
3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
CID 84810047
7-[[2-methoxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126678778
N,N-dimethyl-3-(4-methylnaphthalen-1-yl)propan-1-amine
CID 170865366

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-methoxy-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine (CID 170865770) is 3-[2-methoxy-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-methoxy-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-methoxy-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine is COc1c(CCCN(C)C)cccc1C(F)(F)F.
What is the InChIKey of 3-[2-methoxy-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine?
The InChIKey is SVDMCDHQKAPTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-17(2)9-5-7-10-6-4-8-11(12(10)18-3)13(14,15)16/h4,6,8H,5,7,9H2,1-3H3.
What are the key properties of 3-[2-methoxy-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine?
3-[2-methoxy-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170865770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).