2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]-N-methylethanamine

C11H13ClF3NO — CID 117422639

IUPAC2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]-N-methylethanamine
SMILESCNCCc1cc(Cl)c(OC)c(C(F)(F)F)c1
InChIInChI=1S/C11H13ClF3NO/c1-16-4-3-7-5-8(11(13,14)15)10(17-2)9(12)6-7/h5-6,16H,3-4H2,1-2H3
InChIKeyPZXAHSIPRRCKMD-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.13
Rot. Bonds4

About 2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]-N-methylethanamine

2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]-N-methylethanamine (PubChem CID 117422639) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]-N-methylethanamine
PubChem CID117422639
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]-N-methylethanamine
SMILESCNCCc1cc(Cl)c(OC)c(C(F)(F)F)c1
InChIInChI=1S/C11H13ClF3NO/c1-16-4-3-7-5-8(11(13,14)15)10(17-2)9(12)6-7/h5-6,16H,3-4H2,1-2H3
InChIKeyPZXAHSIPRRCKMD-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol
CID 117425053
2-(3,5-dichloro-4-ethoxyphenyl)-N-methylethanamine
CID 82550874
2-(3-tert-butyl-4-methoxy-5-methylphenyl)-N-methylethanamine
CID 117343656
3-chloro-4-methoxy-5-(trifluoromethyl)aniline
CID 131188893
2-amino-3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propanoic acid
CID 117479208
2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-N-methylethanamine
CID 117428032
3-chloro-4-methoxy-5-(trifluoromethyl)benzoic acid
CID 67041821
2-[3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]-N-methylethanamine
CID 169149528
2-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 82550820
2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol
CID 117378332
2-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 117108110
2-(3-chloro-5-ethyl-2-methoxyphenyl)propan-2-amine
CID 117327991

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]-N-methylethanamine?
The IUPAC name of 2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]-N-methylethanamine (CID 117422639) is 2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]-N-methylethanamine is CNCCc1cc(Cl)c(OC)c(C(F)(F)F)c1.
What is the InChIKey of 2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]-N-methylethanamine?
The InChIKey is PZXAHSIPRRCKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c1-16-4-3-7-5-8(11(13,14)15)10(17-2)9(12)6-7/h5-6,16H,3-4H2,1-2H3.
What are the key properties of 2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]-N-methylethanamine?
2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]-N-methylethanamine has a molecular weight of 267.68 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 117422639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).