(4-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine

C13H13FN2 — CID 115374243

IUPAC(4-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine
SMILESCc1cncc(C(N)c2ccc(F)cc2)c1
InChIInChI=1S/C13H13FN2/c1-9-6-11(8-16-7-9)13(15)10-2-4-12(14)5-3-10/h2-8,13H,15H2,1H3
InChIKeyHCXGDXOOADECDA-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.58
Rot. Bonds2

About (4-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine

(4-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine (PubChem CID 115374243) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is (4-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine
PubChem CID115374243
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name(4-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine
SMILESCc1cncc(C(N)c2ccc(F)cc2)c1
InChIInChI=1S/C13H13FN2/c1-9-6-11(8-16-7-9)13(15)10-2-4-12(14)5-3-10/h2-8,13H,15H2,1H3
InChIKeyHCXGDXOOADECDA-UHFFFAOYSA-N
XLogP2.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanamine
CID 115374873
(5-fluoro-2-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297192
(4-fluoro-2-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297299
bis(4-fluorophenyl)methanamine
CID 10955039
(3,5-dichlorophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 105023142
furan-3-yl-(5-methyl-3-pyridinyl)methanamine
CID 115374562
(6-bromonaphthalen-2-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105023264
(4-methoxy-3-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297303
(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115374254
(2-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 105023063
(3-fluoro-5-methylphenyl)-(4-methylphenyl)methanamine
CID 79704327
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-methyl-3-pyridinyl)methanamine
CID 105143380

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine?
The IUPAC name of (4-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine (CID 115374243) is (4-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (4-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (4-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine is Cc1cncc(C(N)c2ccc(F)cc2)c1.
What is the InChIKey of (4-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine?
The InChIKey is HCXGDXOOADECDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-9-6-11(8-16-7-9)13(15)10-2-4-12(14)5-3-10/h2-8,13H,15H2,1H3.
What are the key properties of (4-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine?
(4-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine has a molecular weight of 216.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 115374243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).