5-(2-aminobutyl)-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine

C17H22FN3 — CID 80637193

IUPAC5-(2-aminobutyl)-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine
SMILESCCC(N)Cc1ccc(N(CC)c2cccc(F)c2)nc1
InChIInChI=1S/C17H22FN3/c1-3-15(19)10-13-8-9-17(20-12-13)21(4-2)16-7-5-6-14(18)11-16/h5-9,11-12,15H,3-4,10,19H2,1-2H3
InChIKeyRIBVPPPGRWIMDL-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.66
Rot. Bonds6

About 5-(2-aminobutyl)-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine

5-(2-aminobutyl)-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine (PubChem CID 80637193) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 5-(2-aminobutyl)-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminobutyl)-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine
PubChem CID80637193
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name5-(2-aminobutyl)-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine
SMILESCCC(N)Cc1ccc(N(CC)c2cccc(F)c2)nc1
InChIInChI=1S/C17H22FN3/c1-3-15(19)10-13-8-9-17(20-12-13)21(4-2)16-7-5-6-14(18)11-16/h5-9,11-12,15H,3-4,10,19H2,1-2H3
InChIKeyRIBVPPPGRWIMDL-UHFFFAOYSA-N
XLogP3.66
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminobutyl)-N-ethyl-N-phenylpyridin-2-amine
CID 80633649
5-(2-aminobutyl)-N-ethyl-N-(4-methylphenyl)pyridin-2-amine
CID 80630089
N-[4-(2-aminobutyl)phenyl]-3-fluoro-N-methylaniline
CID 63817579
4-(2-aminobutyl)-N-(3-fluorophenyl)-N,2-dimethylaniline
CID 63817754
5-(2-aminobutyl)-N-methyl-N-propylpyridin-2-amine
CID 80634035
5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 80632913
5-(chloromethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
CID 61257426
5-(2-aminobutyl)-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine
CID 80635154
1-[2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-5-yl]butan-2-amine
CID 66071499
5-(2-aminobutyl)-N-ethyl-N-(1-methoxypropan-2-yl)pyridin-2-amine
CID 80635244
2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline
CID 63787438
5-(2-aminobutyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 80634634

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminobutyl)-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine?
The IUPAC name of 5-(2-aminobutyl)-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine (CID 80637193) is 5-(2-aminobutyl)-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine.
What is the SMILES notation for 5-(2-aminobutyl)-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine?
The canonical SMILES for 5-(2-aminobutyl)-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine is CCC(N)Cc1ccc(N(CC)c2cccc(F)c2)nc1.
What is the InChIKey of 5-(2-aminobutyl)-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine?
The InChIKey is RIBVPPPGRWIMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-3-15(19)10-13-8-9-17(20-12-13)21(4-2)16-7-5-6-14(18)11-16/h5-9,11-12,15H,3-4,10,19H2,1-2H3.
What are the key properties of 5-(2-aminobutyl)-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine?
5-(2-aminobutyl)-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine has a molecular weight of 287.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminobutyl)-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine is sourced from PubChem (CID 80637193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).