(4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine

C14H12ClF2NO — CID 4961731

IUPAC(4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
SMILESNC(c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H12ClF2NO/c15-11-5-1-9(2-6-11)13(18)10-3-7-12(8-4-10)19-14(16)17/h1-8,13-14H,18H2
InChIKeyOLOALBPICAZSJT-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.99
Rot. Bonds4

About (4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine

(4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine (PubChem CID 4961731) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
PubChem CID4961731
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name(4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
SMILESNC(c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H12ClF2NO/c15-11-5-1-9(2-6-11)13(18)10-3-7-12(8-4-10)19-14(16)17/h1-8,13-14H,18H2
InChIKeyOLOALBPICAZSJT-UHFFFAOYSA-N
XLogP3.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 43167241
(R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine
CID 171225773
(2-chloro-5-fluorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 105396878
(R)-amino-[4-(difluoromethoxy)phenyl]methanol
CID 131969253
2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine
CID 103053140
(5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 102763534
[4-(difluoromethoxy)phenyl]-pyrazin-2-ylmethanamine
CID 115860590
(4-butoxyphenyl)-(4-chlorophenyl)methanamine
CID 105076576
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 105041901
(5-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanamine
CID 43120935
(3-bromothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 80534844
[4-(difluoromethoxy)phenyl]-(1,2,4-oxadiazol-3-yl)methanamine
CID 43559147

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine?
The IUPAC name of (4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine (CID 4961731) is (4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine?
The canonical SMILES for (4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine is NC(c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine?
The InChIKey is OLOALBPICAZSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c15-11-5-1-9(2-6-11)13(18)10-3-7-12(8-4-10)19-14(16)17/h1-8,13-14H,18H2.
What are the key properties of (4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine?
(4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine has a molecular weight of 283.71 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 4961731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).