4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylpyridin-2-amine

C15H15Cl2FN2 — CID 105383600

IUPAC4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylpyridin-2-amine
SMILESCC(c1ccc(Cl)cc1)N(C)c1nccc(CCl)c1F
InChIInChI=1S/C15H15Cl2FN2/c1-10(11-3-5-13(17)6-4-11)20(2)15-14(18)12(9-16)7-8-19-15/h3-8,10H,9H2,1-2H3
InChIKeyORLKOZBQEMOBCV-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.81
Rot. Bonds4

About 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylpyridin-2-amine

4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylpyridin-2-amine (PubChem CID 105383600) has the molecular formula C15H15Cl2FN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylpyridin-2-amine
PubChem CID105383600
Molecular FormulaC15H15Cl2FN2
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylpyridin-2-amine
SMILESCC(c1ccc(Cl)cc1)N(C)c1nccc(CCl)c1F
InChIInChI=1S/C15H15Cl2FN2/c1-10(11-3-5-13(17)6-4-11)20(2)15-14(18)12(9-16)7-8-19-15/h3-8,10H,9H2,1-2H3
InChIKeyORLKOZBQEMOBCV-UHFFFAOYSA-N
XLogP4.81
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382292
3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
CID 130297463
4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-2,6-difluoro-N-methylaniline
CID 63565693
3-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
CID 62979984
5-chloro-2-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 114846633
4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine
CID 105383465
4-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine
CID 105383580
[3-fluoro-2-[methyl(propan-2-yl)amino]-4-pyridinyl]methanol
CID 105382880
2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
CID 102824202
N-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine
CID 105383556
3-(4-aminophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
CID 130297492
2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
CID 62980335

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylpyridin-2-amine?
The IUPAC name of 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylpyridin-2-amine (CID 105383600) is 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylpyridin-2-amine?
The canonical SMILES for 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylpyridin-2-amine is CC(c1ccc(Cl)cc1)N(C)c1nccc(CCl)c1F.
What is the InChIKey of 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylpyridin-2-amine?
The InChIKey is ORLKOZBQEMOBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2FN2/c1-10(11-3-5-13(17)6-4-11)20(2)15-14(18)12(9-16)7-8-19-15/h3-8,10H,9H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylpyridin-2-amine?
4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylpyridin-2-amine has a molecular weight of 313.20 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylpyridin-2-amine is sourced from PubChem (CID 105383600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).