(2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine

C14H12ClF2NO — CID 115801705

IUPAC(2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine
SMILESNC(c1cccc(OC(F)F)c1)c1ccccc1Cl
InChIInChI=1S/C14H12ClF2NO/c15-12-7-2-1-6-11(12)13(18)9-4-3-5-10(8-9)19-14(16)17/h1-8,13-14H,18H2
InChIKeyAGXNERXGDUDQIF-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.99
Rot. Bonds4

About (2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine

(2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine (PubChem CID 115801705) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is (2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine
PubChem CID115801705
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name(2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine
SMILESNC(c1cccc(OC(F)F)c1)c1ccccc1Cl
InChIInChI=1S/C14H12ClF2NO/c15-12-7-2-1-6-11(12)13(18)9-4-3-5-10(8-9)19-14(16)17/h1-8,13-14H,18H2
InChIKeyAGXNERXGDUDQIF-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

(2-chlorophenyl)-(3-methoxyphenyl)methanamine;hydrochloride
CID 54595163
[3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine
CID 115852067
(2,3-dichlorophenyl)-[3-(difluoromethoxy)phenyl]methanol
CID 115792966
[3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine
CID 105025170
1-benzothiophen-7-yl-[3-(difluoromethoxy)phenyl]methanamine
CID 105022104
(S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171241669
1,4-dichloro-2-[chloro-[3-(difluoromethoxy)phenyl]methyl]benzene
CID 63436864
[3-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561286
(4-bromo-5-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methanamine
CID 102828102
[3-(difluoromethoxy)phenyl]-(4-methoxy-3-methylphenyl)methanamine
CID 43379666
(4-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 114024968
(2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid
CID 66512368

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine?
The IUPAC name of (2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine (CID 115801705) is (2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine?
The canonical SMILES for (2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine is NC(c1cccc(OC(F)F)c1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine?
The InChIKey is AGXNERXGDUDQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c15-12-7-2-1-6-11(12)13(18)9-4-3-5-10(8-9)19-14(16)17/h1-8,13-14H,18H2.
What are the key properties of (2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine?
(2-chlorophenyl)-[3-(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 (2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 115801705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).