2-chloro-N-[1-(3-fluorophenyl)propyl]-4-methylpyridin-3-amine

C15H16ClFN2 — CID 114871652

IUPAC2-chloro-N-[1-(3-fluorophenyl)propyl]-4-methylpyridin-3-amine
SMILESCCC(Nc1c(C)ccnc1Cl)c1cccc(F)c1
InChIInChI=1S/C15H16ClFN2/c1-3-13(11-5-4-6-12(17)9-11)19-14-10(2)7-8-18-15(14)16/h4-9,13,19H,3H2,1-2H3
InChIKeySLWQPKCEYMLEFY-UHFFFAOYSA-N
MW278.76 g/mol
LogP4.75
Rot. Bonds4

About 2-chloro-N-[1-(3-fluorophenyl)propyl]-4-methylpyridin-3-amine

2-chloro-N-[1-(3-fluorophenyl)propyl]-4-methylpyridin-3-amine (PubChem CID 114871652) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-fluorophenyl)propyl]-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(3-fluorophenyl)propyl]-4-methylpyridin-3-amine
PubChem CID114871652
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name2-chloro-N-[1-(3-fluorophenyl)propyl]-4-methylpyridin-3-amine
SMILESCCC(Nc1c(C)ccnc1Cl)c1cccc(F)c1
InChIInChI=1S/C15H16ClFN2/c1-3-13(11-5-4-6-12(17)9-11)19-14-10(2)7-8-18-15(14)16/h4-9,13,19H,3H2,1-2H3
InChIKeySLWQPKCEYMLEFY-UHFFFAOYSA-N
XLogP4.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-fluorophenyl)propyl]-3-methylaniline
CID 114870935
N-[1-(3-fluorophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 114871423
4-bromo-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871024
2-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylpyridin-3-amine
CID 65482956
4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline
CID 114870959
1-(3-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114871579
2-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 65483939
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
N-[1-(3-fluorophenyl)propyl]-4-methyl-3-nitroaniline
CID 114871280
4-butan-2-yl-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871220
4-bromo-2,3-dichloro-N-[1-(3-fluorophenyl)propyl]aniline
CID 107787553
2-chloro-N-(2-ethylbutyl)-4-methylpyridin-3-amine
CID 65483551

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-fluorophenyl)propyl]-4-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-[1-(3-fluorophenyl)propyl]-4-methylpyridin-3-amine (CID 114871652) is 2-chloro-N-[1-(3-fluorophenyl)propyl]-4-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[1-(3-fluorophenyl)propyl]-4-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-[1-(3-fluorophenyl)propyl]-4-methylpyridin-3-amine is CCC(Nc1c(C)ccnc1Cl)c1cccc(F)c1.
What is the InChIKey of 2-chloro-N-[1-(3-fluorophenyl)propyl]-4-methylpyridin-3-amine?
The InChIKey is SLWQPKCEYMLEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-3-13(11-5-4-6-12(17)9-11)19-14-10(2)7-8-18-15(14)16/h4-9,13,19H,3H2,1-2H3.
What are the key properties of 2-chloro-N-[1-(3-fluorophenyl)propyl]-4-methylpyridin-3-amine?
2-chloro-N-[1-(3-fluorophenyl)propyl]-4-methylpyridin-3-amine has a molecular weight of 278.76 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-fluorophenyl)propyl]-4-methylpyridin-3-amine is sourced from PubChem (CID 114871652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).