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

C13H10ClF2N — CID 115791995

IUPAC(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine
SMILESNC(c1cccc(F)c1)c1cccc(F)c1Cl
InChIInChI=1S/C13H10ClF2N/c14-12-10(5-2-6-11(12)16)13(17)8-3-1-4-9(15)7-8/h1-7,13H,17H2
InChIKeyQMGAXGQTOWKQDL-UHFFFAOYSA-N
MW253.68 g/mol
LogP3.67
Rot. Bonds2

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

(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine (PubChem CID 115791995) has the molecular formula C13H10ClF2N and a molecular weight of 253.68 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine
PubChem CID115791995
Molecular FormulaC13H10ClF2N
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine
SMILESNC(c1cccc(F)c1)c1cccc(F)c1Cl
InChIInChI=1S/C13H10ClF2N/c14-12-10(5-2-6-11(12)16)13(17)8-3-1-4-9(15)7-8/h1-7,13H,17H2
InChIKeyQMGAXGQTOWKQDL-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 81454139
(2-chloro-3-fluorophenyl)-(4-chlorophenyl)methanamine
CID 81454943
(2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine
CID 105050408
(4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine
CID 81454944
(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 115801340
(2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine
CID 115799417
(2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 81454834
(3-chlorophenyl)-(2,4-difluorophenyl)methanamine
CID 43197760
(4-chloronaphthalen-1-yl)-(3-fluorophenyl)methanamine
CID 79597450
2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine
CID 112653545
(2-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 105023063
(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990549

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine?
The IUPAC name of (2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine (CID 115791995) is (2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine?
The canonical SMILES for (2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine is NC(c1cccc(F)c1)c1cccc(F)c1Cl.
What is the InChIKey of (2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine?
The InChIKey is QMGAXGQTOWKQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N/c14-12-10(5-2-6-11(12)16)13(17)8-3-1-4-9(15)7-8/h1-7,13H,17H2.
What are the key properties of (2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine?
(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine has a molecular weight of 253.68 g/mol, XLogP of 3.67, 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)-(3-fluorophenyl)methanamine is sourced from PubChem (CID 115791995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).