1-[5-chloro-2-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine

C11H13ClF3NO — CID 64554992

IUPAC1-[5-chloro-2-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1OCCC(F)(F)F
InChIInChI=1S/C11H13ClF3NO/c1-16-7-8-6-9(12)2-3-10(8)17-5-4-11(13,14)15/h2-3,6,16H,4-5,7H2,1H3
InChIKeyWXYGWQKATVTCDT-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.39
Rot. Bonds5

About 1-[5-chloro-2-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine

1-[5-chloro-2-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine (PubChem CID 64554992) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 1-[5-chloro-2-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
PubChem CID64554992
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name1-[5-chloro-2-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1OCCC(F)(F)F
InChIInChI=1S/C11H13ClF3NO/c1-16-7-8-6-9(12)2-3-10(8)17-5-4-11(13,14)15/h2-3,6,16H,4-5,7H2,1H3
InChIKeyWXYGWQKATVTCDT-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-chloro-2-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-chloro-2-(3-methylsulfonylpropoxy)phenyl]-N-methylmethanamine
CID 55160595
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492473
5-chloro-2-(3,3,3-trifluoropropoxy)aniline
CID 62056679
4-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63890303
1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43646631
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
5-chloro-2-(3,3,3-trifluoropropoxy)benzenecarbothioamide
CID 82955460
5-chloro-2-(3,3,3-trifluoropropoxy)benzaldehyde
CID 60772707
1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 62699888
1-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
CID 114318632
1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658765

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine (CID 64554992) is 1-[5-chloro-2-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1OCCC(F)(F)F.
What is the InChIKey of 1-[5-chloro-2-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine?
The InChIKey is WXYGWQKATVTCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c1-16-7-8-6-9(12)2-3-10(8)17-5-4-11(13,14)15/h2-3,6,16H,4-5,7H2,1H3.
What are the key properties of 1-[5-chloro-2-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine?
1-[5-chloro-2-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine has a molecular weight of 267.68 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 64554992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).