2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine

C11H11Cl2F2NO — CID 115702536

IUPAC2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine
SMILESC=C(Cl)CNCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C11H11Cl2F2NO/c1-7(12)5-16-6-8-4-9(13)2-3-10(8)17-11(14)15/h2-4,11,16H,1,5-6H2
InChIKeyDMELKHNLLBOCAZ-UHFFFAOYSA-N
MW282.12 g/mol
LogP3.78
Rot. Bonds6

About 2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine

2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine (PubChem CID 115702536) has the molecular formula C11H11Cl2F2NO and a molecular weight of 282.12 g/mol. Its IUPAC name is 2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine
PubChem CID115702536
Molecular FormulaC11H11Cl2F2NO
Molecular Weight282.12 g/mol
Exact Mass281.02
IUPAC Name2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine
SMILESC=C(Cl)CNCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C11H11Cl2F2NO/c1-7(12)5-16-6-8-4-9(13)2-3-10(8)17-11(14)15/h2-4,11,16H,1,5-6H2
InChIKeyDMELKHNLLBOCAZ-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol
CID 43424974
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
5-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pentan-1-ol
CID 107302833
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylbutan-1-amine
CID 43234453
2-but-3-enoxy-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 103854557
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methylbutan-1-amine
CID 62693915
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(thian-4-yl)methanamine
CID 115625880
methyl 3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 43425032
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(oxan-4-yl)methanamine
CID 62349799
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 43425082
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine
CID 115325198
4-chloro-2-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]phenol
CID 29292740

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine (CID 115702536) is 2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine is C=C(Cl)CNCc1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine?
The InChIKey is DMELKHNLLBOCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2F2NO/c1-7(12)5-16-6-8-4-9(13)2-3-10(8)17-11(14)15/h2-4,11,16H,1,5-6H2.
What are the key properties of 2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine?
2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine has a molecular weight of 282.12 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 115702536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).