1-[3-methoxy-4-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride

C10H13ClF3NO — CID 155970638

IUPAC1-[3-methoxy-4-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
SMILESCNCc1ccc(C(F)(F)F)c(OC)c1.Cl
InChIInChI=1S/C10H12F3NO.ClH/c1-14-6-7-3-4-8(10(11,12)13)9(5-7)15-2;/h3-5,14H,6H2,1-2H3;1H
InChIKeyRUSBTDVCELOKKZ-UHFFFAOYSA-N
MW255.67 g/mol
LogP2.86
Rot. Bonds3

About 1-[3-methoxy-4-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride

1-[3-methoxy-4-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride (PubChem CID 155970638) has the molecular formula C10H13ClF3NO and a molecular weight of 255.67 g/mol. Its IUPAC name is 1-[3-methoxy-4-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[3-methoxy-4-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
PubChem CID155970638
Molecular FormulaC10H13ClF3NO
Molecular Weight255.67 g/mol
Exact Mass255.06
IUPAC Name1-[3-methoxy-4-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
SMILESCNCc1ccc(C(F)(F)F)c(OC)c1.Cl
InChIInChI=1S/C10H12F3NO.ClH/c1-14-6-7-3-4-8(10(11,12)13)9(5-7)15-2;/h3-5,14H,6H2,1-2H3;1H
InChIKeyRUSBTDVCELOKKZ-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.67
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine
CID 43278729
1-methoxy-2-[3-methoxy-4-(trifluoromethyl)phenyl]ethanamine
CID 71236310
ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 142344458
N-methyl-1-[4-methyl-3-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 105406518
3-[3-methoxy-4-(trifluoromethyl)phenyl]propanal
CID 134621964
2-methoxy-4-(2-methylbutyl)-1-(trifluoromethyl)benzene
CID 177016098
N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117315144
4-hexyl-2-methoxy-1-(trifluoromethyl)benzene
CID 90733301
ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 145483743
2-methoxy-N,N-dimethyl-4-(methylaminomethyl)aniline
CID 84754595
bicyclo[4.2.0]octa-1,3,5-triene;1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 174695660
1-[4-(ethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 65369124

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[3-methoxy-4-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride (CID 155970638) is 1-[3-methoxy-4-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[3-methoxy-4-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[3-methoxy-4-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride is CNCc1ccc(C(F)(F)F)c(OC)c1.Cl.
What is the InChIKey of 1-[3-methoxy-4-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride?
The InChIKey is RUSBTDVCELOKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO.ClH/c1-14-6-7-3-4-8(10(11,12)13)9(5-7)15-2;/h3-5,14H,6H2,1-2H3;1H.
What are the key properties of 1-[3-methoxy-4-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride?
1-[3-methoxy-4-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride has a molecular weight of 255.67 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 155970638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).