N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-fluoropyridin-2-amine

C15H24FN3O — CID 97324812

IUPACN-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-fluoropyridin-2-amine
SMILESC[C@@H]1CN(CCCCNc2ncccc2F)C[C@H](C)O1
InChIInChI=1S/C15H24FN3O/c1-12-10-19(11-13(2)20-12)9-4-3-7-17-15-14(16)6-5-8-18-15/h5-6,8,12-13H,3-4,7,9-11H2,1-2H3,(H,17,18)/t12-,13+
InChIKeyWWUUVYCUZGGXRC-BETUJISGSA-N
MW281.37 g/mol
LogP2.52
Rot. Bonds6

About N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-fluoropyridin-2-amine

N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-fluoropyridin-2-amine (PubChem CID 97324812) has the molecular formula C15H24FN3O and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-fluoropyridin-2-amine
PubChem CID97324812
Molecular FormulaC15H24FN3O
Molecular Weight281.37 g/mol
Exact Mass281.19
IUPAC NameN-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-fluoropyridin-2-amine
SMILESC[C@@H]1CN(CCCCNc2ncccc2F)C[C@H](C)O1
InChIInChI=1S/C15H24FN3O/c1-12-10-19(11-13(2)20-12)9-4-3-7-17-15-14(16)6-5-8-18-15/h5-6,8,12-13H,3-4,7,9-11H2,1-2H3,(H,17,18)/t12-,13+
InChIKeyWWUUVYCUZGGXRC-BETUJISGSA-N
XLogP2.52
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2,6-dimethylmorpholin-4-yl)butylamino]pyridine-2-carbonitrile
CID 136531393
3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine
CID 62734731
N'-(3-fluoro-2-pyridinyl)pentane-1,5-diamine
CID 107323423
5-chloro-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]pyrimidin-2-amine
CID 97093099
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea
CID 94054024
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-2-quinolin-8-ylacetamide
CID 95974785
methyl 6-[(3-fluoro-2-pyridinyl)amino]hexanoate
CID 62734562
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-6-methylpyridin-2-amine
CID 133313665
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-pyridin-2-ylurea
CID 51084139
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]-4-(trifluoromethylsulfonyl)aniline
CID 96536322
4-(2,6-dimethylmorpholin-4-yl)-N-methylbutan-1-amine
CID 60842262
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide
CID 51725583

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-fluoropyridin-2-amine?
The IUPAC name of N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-fluoropyridin-2-amine (CID 97324812) is N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-fluoropyridin-2-amine.
What is the SMILES notation for N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-fluoropyridin-2-amine?
The canonical SMILES for N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-fluoropyridin-2-amine is C[C@@H]1CN(CCCCNc2ncccc2F)C[C@H](C)O1.
What is the InChIKey of N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-fluoropyridin-2-amine?
The InChIKey is WWUUVYCUZGGXRC-BETUJISGSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-12-10-19(11-13(2)20-12)9-4-3-7-17-15-14(16)6-5-8-18-15/h5-6,8,12-13H,3-4,7,9-11H2,1-2H3,(H,17,18)/t12-,13+.
What are the key properties of N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-fluoropyridin-2-amine?
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-fluoropyridin-2-amine has a molecular weight of 281.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-fluoropyridin-2-amine is sourced from PubChem (CID 97324812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).