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

C15H16ClFN2 — CID 114855478

IUPAC1-(4-chloro-2-fluorophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
SMILESCNC(Cc1cccnc1)Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H16ClFN2/c1-18-14(7-11-3-2-6-19-10-11)8-12-4-5-13(16)9-15(12)17/h2-6,9-10,14,18H,7-8H2,1H3
InChIKeyIUNZDTDIGDSQFV-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.25
Rot. Bonds5

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

1-(4-chloro-2-fluorophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine (PubChem CID 114855478) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
PubChem CID114855478
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
SMILESCNC(Cc1cccnc1)Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H16ClFN2/c1-18-14(7-11-3-2-6-19-10-11)8-12-4-5-13(16)9-15(12)17/h2-6,9-10,14,18H,7-8H2,1H3
InChIKeyIUNZDTDIGDSQFV-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-2-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105342751
[1-(2,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 105200159
1-(3,5-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62552074
1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 105190357
N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734
1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 114855536
1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62550846
N-[(4-chloro-2-fluorophenyl)methyl]-2-pyridin-3-ylethanamine
CID 114842036
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 62600122
1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62553243
1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 103048477
1-(5-chloro-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 105034593

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine (CID 114855478) is 1-(4-chloro-2-fluorophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine is CNC(Cc1cccnc1)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine?
The InChIKey is IUNZDTDIGDSQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-18-14(7-11-3-2-6-19-10-11)8-12-4-5-13(16)9-15(12)17/h2-6,9-10,14,18H,7-8H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine?
1-(4-chloro-2-fluorophenyl)-N-methyl-3-pyridin-3-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-2-fluorophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 114855478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).