(2,5-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanamine

C14H11Cl2F2NO — CID 43344658

IUPAC(2,5-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanamine
SMILESNC(c1cc(Cl)ccc1Cl)c1ccccc1OC(F)F
InChIInChI=1S/C14H11Cl2F2NO/c15-8-5-6-11(16)10(7-8)13(19)9-3-1-2-4-12(9)20-14(17)18/h1-7,13-14H,19H2
InChIKeySGOPLHHABIMBIV-UHFFFAOYSA-N
MW318.15 g/mol
LogP4.64
Rot. Bonds4

About (2,5-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanamine

(2,5-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanamine (PubChem CID 43344658) has the molecular formula C14H11Cl2F2NO and a molecular weight of 318.15 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanamine
PubChem CID43344658
Molecular FormulaC14H11Cl2F2NO
Molecular Weight318.15 g/mol
Exact Mass317.02
IUPAC Name(2,5-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanamine
SMILESNC(c1cc(Cl)ccc1Cl)c1ccccc1OC(F)F
InChIInChI=1S/C14H11Cl2F2NO/c15-8-5-6-11(16)10(7-8)13(19)9-3-1-2-4-12(9)20-14(17)18/h1-7,13-14H,19H2
InChIKeySGOPLHHABIMBIV-UHFFFAOYSA-N
XLogP4.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277
2,5-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 43096601
1,4-dichloro-2-[2-(difluoromethoxy)phenyl]benzene
CID 119002522
(2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344688
(2,5-dibromothiophen-3-yl)-[2-(difluoromethoxy)phenyl]methanamine
CID 43345041
(5-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine
CID 43140072
(2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
CID 105396862
(4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine
CID 79592111
2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene
CID 61084727
[2-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanamine
CID 43322455
(5-chloro-2-iodophenyl)-(2-methoxyphenyl)methanamine
CID 114030041

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanamine?
The IUPAC name of (2,5-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanamine (CID 43344658) is (2,5-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (2,5-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanamine?
The canonical SMILES for (2,5-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanamine is NC(c1cc(Cl)ccc1Cl)c1ccccc1OC(F)F.
What is the InChIKey of (2,5-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanamine?
The InChIKey is SGOPLHHABIMBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2NO/c15-8-5-6-11(16)10(7-8)13(19)9-3-1-2-4-12(9)20-14(17)18/h1-7,13-14H,19H2.
What are the key properties of (2,5-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanamine?
(2,5-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanamine has a molecular weight of 318.15 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 43344658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).