3-(3-chloro-4-pyridinyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine

C15H16ClFN2 — CID 79439464

IUPAC3-(3-chloro-4-pyridinyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccncc1Cl)c1ccccc1F
InChIInChI=1S/C15H16ClFN2/c1-18-9-12(13-4-2-3-5-15(13)17)8-11-6-7-19-10-14(11)16/h2-7,10,12,18H,8-9H2,1H3
InChIKeyLGSJPWOGORVOLZ-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.42
Rot. Bonds5

About 3-(3-chloro-4-pyridinyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine

3-(3-chloro-4-pyridinyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 79439464) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 3-(3-chloro-4-pyridinyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-pyridinyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
PubChem CID79439464
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name3-(3-chloro-4-pyridinyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccncc1Cl)c1ccccc1F
InChIInChI=1S/C15H16ClFN2/c1-18-9-12(13-4-2-3-5-15(13)17)8-11-6-7-19-10-14(11)16/h2-7,10,12,18H,8-9H2,1H3
InChIKeyLGSJPWOGORVOLZ-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-4-fluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439309
3-(2,3-difluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439526
2-(2-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 79439531
2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
CID 112655560
2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79432117
2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 112655632
2-(3-chloro-4-pyridinyl)-1-(2-methylsulfanylphenyl)ethanol
CID 112655772
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79442386
3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516735
3-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 79838916
[1-(2-chlorophenyl)-2-(3-chloro-4-pyridinyl)ethyl]hydrazine
CID 105211070
2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79433408

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-pyridinyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(3-chloro-4-pyridinyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine (CID 79439464) is 3-(3-chloro-4-pyridinyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-pyridinyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(3-chloro-4-pyridinyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine is CNCC(Cc1ccncc1Cl)c1ccccc1F.
What is the InChIKey of 3-(3-chloro-4-pyridinyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is LGSJPWOGORVOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-18-9-12(13-4-2-3-5-15(13)17)8-11-6-7-19-10-14(11)16/h2-7,10,12,18H,8-9H2,1H3.
What are the key properties of 3-(3-chloro-4-pyridinyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine?
3-(3-chloro-4-pyridinyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 278.76 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-pyridinyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 79439464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).