1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-amine

C14H22FN3O — CID 112586255

IUPAC1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-amine
SMILESCC1CN(CC(C)C(N)c2ccc(F)cn2)CCO1
InChIInChI=1S/C14H22FN3O/c1-10(8-18-5-6-19-11(2)9-18)14(16)13-4-3-12(15)7-17-13/h3-4,7,10-11,14H,5-6,8-9,16H2,1-2H3
InChIKeyJWTWUKHQUMKCGC-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.58
Rot. Bonds4

About 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-amine

1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-amine (PubChem CID 112586255) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-amine
PubChem CID112586255
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-amine
SMILESCC1CN(CC(C)C(N)c2ccc(F)cn2)CCO1
InChIInChI=1S/C14H22FN3O/c1-10(8-18-5-6-19-11(2)9-18)14(16)13-4-3-12(15)7-17-13/h3-4,7,10-11,14H,5-6,8-9,16H2,1-2H3
InChIKeyJWTWUKHQUMKCGC-UHFFFAOYSA-N
XLogP1.58
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-ol
CID 115941592
3-(3,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine
CID 115941117
3-(2,5-dimethylmorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine
CID 115941213
1-(5-fluoro-2-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 112586259
1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-amine
CID 107395114
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 115941386
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 112586326
(2S)-3-methyl-1-[(2S)-2-methylmorpholin-4-yl]butan-2-amine
CID 28597475
1-(2-methylmorpholin-4-yl)propan-2-ol
CID 60886312
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 112586276
1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-3-(1,4-oxazepan-4-yl)propan-1-amine
CID 115941378
3-(3,4-dimethylpyrrolidin-1-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine
CID 115941444

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-amine (CID 112586255) is 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-amine is CC1CN(CC(C)C(N)c2ccc(F)cn2)CCO1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-amine?
The InChIKey is JWTWUKHQUMKCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-10(8-18-5-6-19-11(2)9-18)14(16)13-4-3-12(15)7-17-13/h3-4,7,10-11,14H,5-6,8-9,16H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-amine?
1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-amine has a molecular weight of 267.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-amine is sourced from PubChem (CID 112586255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).