1-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine

C11H13ClF3NO — CID 114318632

IUPAC1-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1OCCC(F)(F)F
InChIInChI=1S/C11H13ClF3NO/c1-16-7-8-9(12)3-2-4-10(8)17-6-5-11(13,14)15/h2-4,16H,5-7H2,1H3
InChIKeyVXXVAZHTJMBSGH-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.39
Rot. Bonds5

About 1-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine

1-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine (PubChem CID 114318632) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 1-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
PubChem CID114318632
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name1-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1OCCC(F)(F)F
InChIInChI=1S/C11H13ClF3NO/c1-16-7-8-9(12)3-2-4-10(8)17-6-5-11(13,14)15/h2-4,16H,5-7H2,1H3
InChIKeyVXXVAZHTJMBSGH-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

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Related Compounds

1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine
CID 114318647
1-[2-chloro-6-(3-phenoxypropoxy)phenyl]-N-methylmethanamine
CID 114318831
1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine
CID 114318854
methyl 4-[3-chloro-2-(methylaminomethyl)phenoxy]butanoate
CID 114318736
1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 78957726
1-[2-[(E)-but-2-enoxy]-6-chlorophenyl]-N-methylmethanamine
CID 114318815
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
1-[5-chloro-2-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
CID 64554992
1-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 114318666
1-[2-chloro-6-[(2,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 114318794
1-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102999897
N-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 113276749

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine (CID 114318632) is 1-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine is CNCc1c(Cl)cccc1OCCC(F)(F)F.
What is the InChIKey of 1-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine?
The InChIKey is VXXVAZHTJMBSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c1-16-7-8-9(12)3-2-4-10(8)17-6-5-11(13,14)15/h2-4,16H,5-7H2,1H3.
What are the key properties of 1-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine?
1-[2-chloro-6-(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-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 114318632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).