1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine

C9H10ClF2NO — CID 78957726

IUPAC1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1OC(F)F
InChIInChI=1S/C9H10ClF2NO/c1-13-5-6-7(10)3-2-4-8(6)14-9(11)12/h2-4,9,13H,5H2,1H3
InChIKeyAVZWOXXMEATMFZ-UHFFFAOYSA-N
MW221.63 g/mol
LogP2.66
Rot. Bonds4

About 1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine

1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine (PubChem CID 78957726) has the molecular formula C9H10ClF2NO and a molecular weight of 221.63 g/mol. Its IUPAC name is 1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine
PubChem CID78957726
Molecular FormulaC9H10ClF2NO
Molecular Weight221.63 g/mol
Exact Mass221.04
IUPAC Name1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1OC(F)F
InChIInChI=1S/C9H10ClF2NO/c1-13-5-6-7(10)3-2-4-8(6)14-9(11)12/h2-4,9,13H,5H2,1H3
InChIKeyAVZWOXXMEATMFZ-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.63
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-chloro-2-(methylaminomethyl)phenoxy]butan-2-ol
CID 114318725
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
1-chloro-2-(3-chloropropyl)-3-(difluoromethoxy)benzene
CID 118836110
2-[3-chloro-2-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 114318673
3-[2-chloro-6-(difluoromethoxy)phenyl]propanal
CID 134621463
ethyl 2-[3-chloro-2-(methylaminomethyl)phenoxy]pentanoate
CID 83037956
1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine
CID 43479857
1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine
CID 114318854
1-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
CID 114318632
1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine
CID 63552208
1-[2-[(E)-but-2-enoxy]-6-chlorophenyl]-N-methylmethanamine
CID 114318815
1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine
CID 114318647

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine (CID 78957726) is 1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine is CNCc1c(Cl)cccc1OC(F)F.
What is the InChIKey of 1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine?
The InChIKey is AVZWOXXMEATMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO/c1-13-5-6-7(10)3-2-4-8(6)14-9(11)12/h2-4,9,13H,5H2,1H3.
What are the key properties of 1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine?
1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine has a molecular weight of 221.63 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 78957726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).