1-(4-chloro-3-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine

C15H16ClFN2 — CID 107884648

IUPAC1-(4-chloro-3-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
SMILESCNC(Cc1ccncc1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H16ClFN2/c1-18-13(8-11-4-6-19-7-5-11)9-12-2-3-14(16)15(17)10-12/h2-7,10,13,18H,8-9H2,1H3
InChIKeyBJRWCWLFSVLFEG-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.25
Rot. Bonds5

About 1-(4-chloro-3-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine

1-(4-chloro-3-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine (PubChem CID 107884648) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
PubChem CID107884648
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
SMILESCNC(Cc1ccncc1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H16ClFN2/c1-18-13(8-11-4-6-19-7-5-11)9-12-2-3-14(16)15(17)10-12/h2-7,10,13,18H,8-9H2,1H3
InChIKeyBJRWCWLFSVLFEG-UHFFFAOYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 107884629
1-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 107884509
1-(4-chloro-3-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine
CID 107884650
1-(4-chlorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 62553099
1-(4-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 62553272
1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 107884614
1-(4-chloro-3-fluorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 107884766
1-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 107884855
2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine
CID 114012684
1-(3,4-dichlorophenyl)-3-(2,4-difluorophenyl)-N-methylpropan-2-amine
CID 62196904
1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine
CID 107884533
2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 107884966

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine (CID 107884648) is 1-(4-chloro-3-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine is CNC(Cc1ccncc1)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine?
The InChIKey is BJRWCWLFSVLFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-18-13(8-11-4-6-19-7-5-11)9-12-2-3-14(16)15(17)10-12/h2-7,10,13,18H,8-9H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine?
1-(4-chloro-3-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine has a molecular weight of 278.76 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine is sourced from PubChem (CID 107884648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).