1-(5-chloro-2-fluorophenyl)-N-methyl-4-pyridin-4-ylbutan-2-amine

C16H18ClFN2 — CID 103053100

IUPAC1-(5-chloro-2-fluorophenyl)-N-methyl-4-pyridin-4-ylbutan-2-amine
SMILESCNC(CCc1ccncc1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H18ClFN2/c1-19-15(4-2-12-6-8-20-9-7-12)11-13-10-14(17)3-5-16(13)18/h3,5-10,15,19H,2,4,11H2,1H3
InChIKeyGOVRPRZMEKYOKZ-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.64
Rot. Bonds6

About 1-(5-chloro-2-fluorophenyl)-N-methyl-4-pyridin-4-ylbutan-2-amine

1-(5-chloro-2-fluorophenyl)-N-methyl-4-pyridin-4-ylbutan-2-amine (PubChem CID 103053100) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-methyl-4-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-methyl-4-pyridin-4-ylbutan-2-amine
PubChem CID103053100
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-methyl-4-pyridin-4-ylbutan-2-amine
SMILESCNC(CCc1ccncc1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H18ClFN2/c1-19-15(4-2-12-6-8-20-9-7-12)11-13-10-14(17)3-5-16(13)18/h3,5-10,15,19H,2,4,11H2,1H3
InChIKeyGOVRPRZMEKYOKZ-UHFFFAOYSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 103053170
1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol
CID 103053358
1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine
CID 105157330
N-methyl-1,5-dipyridin-4-ylpentan-3-amine
CID 11253852
1-(5-chloro-2-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine
CID 103048600
1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 103048477
1-(4-chlorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 62553099
1-(5-chloro-2-fluorophenyl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148276
N,5-dimethyl-1-pyridin-4-ylhexan-3-amine
CID 105082999
1-(4-chloro-3-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 107884648
1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine
CID 62196246
2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethanol
CID 103047540

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-methyl-4-pyridin-4-ylbutan-2-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-methyl-4-pyridin-4-ylbutan-2-amine (CID 103053100) is 1-(5-chloro-2-fluorophenyl)-N-methyl-4-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-methyl-4-pyridin-4-ylbutan-2-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-methyl-4-pyridin-4-ylbutan-2-amine is CNC(CCc1ccncc1)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-methyl-4-pyridin-4-ylbutan-2-amine?
The InChIKey is GOVRPRZMEKYOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-19-15(4-2-12-6-8-20-9-7-12)11-13-10-14(17)3-5-16(13)18/h3,5-10,15,19H,2,4,11H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-N-methyl-4-pyridin-4-ylbutan-2-amine?
1-(5-chloro-2-fluorophenyl)-N-methyl-4-pyridin-4-ylbutan-2-amine has a molecular weight of 292.79 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-N-methyl-4-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 103053100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).