5-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine

C15H16ClFN2 — CID 62983613

IUPAC5-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
SMILESCC(c1ccccc1F)N(C)c1ccc(CCl)cn1
InChIInChI=1S/C15H16ClFN2/c1-11(13-5-3-4-6-14(13)17)19(2)15-8-7-12(9-16)10-18-15/h3-8,10-11H,9H2,1-2H3
InChIKeyIBJGMJAXQDPLBL-UHFFFAOYSA-N
MW278.76 g/mol
LogP4.16
Rot. Bonds4

About 5-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine

5-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine (PubChem CID 62983613) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 5-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
PubChem CID62983613
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name5-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
SMILESCC(c1ccccc1F)N(C)c1ccc(CCl)cn1
InChIInChI=1S/C15H16ClFN2/c1-11(13-5-3-4-6-14(13)17)19(2)15-8-7-12(9-16)10-18-15/h3-8,10-11H,9H2,1-2H3
InChIKeyIBJGMJAXQDPLBL-UHFFFAOYSA-N
XLogP4.16
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 54.16
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

[6-[1-(2-fluorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 62984853
4-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylaniline
CID 63567303
5-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrimidin-2-amine
CID 113387953
6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
CID 55140098
3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine
CID 55140097
4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
CID 62980166
5-(2-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpyridin-2-amine
CID 80636823
5-(chloromethyl)-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 61378107
5-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 107083060
2-benzyl-4-chloro-5-[1-(2-fluorophenyl)ethyl-methylamino]pyridazin-3-one
CID 167847480
2-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-4-carboxylic acid
CID 62980554
6-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-3-amine
CID 83122869

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine (CID 62983613) is 5-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine is CC(c1ccccc1F)N(C)c1ccc(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine?
The InChIKey is IBJGMJAXQDPLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-11(13-5-3-4-6-14(13)17)19(2)15-8-7-12(9-16)10-18-15/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 5-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine?
5-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine has a molecular weight of 278.76 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 62983613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).