(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine

C13H10Cl2FN — CID 115801340

IUPAC(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
SMILESNC(c1ccccc1Cl)c1cccc(F)c1Cl
InChIInChI=1S/C13H10Cl2FN/c14-10-6-2-1-4-8(10)13(17)9-5-3-7-11(16)12(9)15/h1-7,13H,17H2
InChIKeyNDMPFVPLANVVPP-UHFFFAOYSA-N
MW270.13 g/mol
LogP4.18
Rot. Bonds2

About (2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine

(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine (PubChem CID 115801340) has the molecular formula C13H10Cl2FN and a molecular weight of 270.13 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
PubChem CID115801340
Molecular FormulaC13H10Cl2FN
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
SMILESNC(c1ccccc1Cl)c1cccc(F)c1Cl
InChIInChI=1S/C13H10Cl2FN/c14-10-6-2-1-4-8(10)13(17)9-5-3-7-11(16)12(9)15/h1-7,13H,17H2
InChIKeyNDMPFVPLANVVPP-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-3-fluorophenyl)-(4-chlorophenyl)methanamine
CID 81454943
(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine
CID 115791995
(2-bromo-3,4-difluorophenyl)-(2-chlorophenyl)methanamine
CID 107538716
(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990549
(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine
CID 62945856
(4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine
CID 81454944
(3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 106648113
(2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 81454139
(4-chloro-2,5-difluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 115851173
(S)-(2-chloro-3-fluorophenyl)-thiophen-2-ylmethanamine
CID 171203052
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2-chloro-3-fluorophenyl)methanamine
CID 81453802
(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine
CID 115827987

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine?
The IUPAC name of (2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine (CID 115801340) is (2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine?
The canonical SMILES for (2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine is NC(c1ccccc1Cl)c1cccc(F)c1Cl.
What is the InChIKey of (2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine?
The InChIKey is NDMPFVPLANVVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN/c14-10-6-2-1-4-8(10)13(17)9-5-3-7-11(16)12(9)15/h1-7,13H,17H2.
What are the key properties of (2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine?
(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine has a molecular weight of 270.13 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine is sourced from PubChem (CID 115801340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).