1-amino-3-(3-fluoro-4-morpholin-2-ylanilino)propan-2-ol

C13H20FN3O2 — CID 175412994

IUPAC1-amino-3-(3-fluoro-4-morpholin-2-ylanilino)propan-2-ol
SMILESNCC(O)CNc1ccc(C2CNCCO2)c(F)c1
InChIInChI=1S/C13H20FN3O2/c14-12-5-9(17-7-10(18)6-15)1-2-11(12)13-8-16-3-4-19-13/h1-2,5,10,13,16-18H,3-4,6-8,15H2
InChIKeyZCNADCIPNBHDJK-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.22
Rot. Bonds5

About 1-amino-3-(3-fluoro-4-morpholin-2-ylanilino)propan-2-ol

1-amino-3-(3-fluoro-4-morpholin-2-ylanilino)propan-2-ol (PubChem CID 175412994) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-amino-3-(3-fluoro-4-morpholin-2-ylanilino)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3-fluoro-4-morpholin-2-ylanilino)propan-2-ol
PubChem CID175412994
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name1-amino-3-(3-fluoro-4-morpholin-2-ylanilino)propan-2-ol
SMILESNCC(O)CNc1ccc(C2CNCCO2)c(F)c1
InChIInChI=1S/C13H20FN3O2/c14-12-5-9(17-7-10(18)6-15)1-2-11(12)13-8-16-3-4-19-13/h1-2,5,10,13,16-18H,3-4,6-8,15H2
InChIKeyZCNADCIPNBHDJK-UHFFFAOYSA-N
XLogP0.22
TPSA79.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2,4-difluorophenyl)morpholine
CID 93302359
2-(2-fluoro-4-methylphenyl)morpholine
CID 83698750
(3-fluoro-4-morpholin-2-ylphenyl)boronic acid
CID 175210838
2,3-difluoro-6-morpholin-2-ylphenol
CID 84783760
(4-fluoro-3-morpholin-2-ylphenyl)methanol
CID 117301215
5-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride
CID 90133875
5-(cyclopropylmethoxy)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride
CID 122529822
3-fluoro-4-morpholin-2-ylaniline;2-hydroxybenzaldehyde
CID 175213091
2-(2-bromo-4-fluorophenyl)morpholine
CID 83734450
1-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-2-ol
CID 115121170
2-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide
CID 71087131
2-chloro-3-fluoro-4-morpholin-2-ylphenol
CID 117335357

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-fluoro-4-morpholin-2-ylanilino)propan-2-ol?
The IUPAC name of 1-amino-3-(3-fluoro-4-morpholin-2-ylanilino)propan-2-ol (CID 175412994) is 1-amino-3-(3-fluoro-4-morpholin-2-ylanilino)propan-2-ol.
What is the SMILES notation for 1-amino-3-(3-fluoro-4-morpholin-2-ylanilino)propan-2-ol?
The canonical SMILES for 1-amino-3-(3-fluoro-4-morpholin-2-ylanilino)propan-2-ol is NCC(O)CNc1ccc(C2CNCCO2)c(F)c1.
What is the InChIKey of 1-amino-3-(3-fluoro-4-morpholin-2-ylanilino)propan-2-ol?
The InChIKey is ZCNADCIPNBHDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c14-12-5-9(17-7-10(18)6-15)1-2-11(12)13-8-16-3-4-19-13/h1-2,5,10,13,16-18H,3-4,6-8,15H2.
What are the key properties of 1-amino-3-(3-fluoro-4-morpholin-2-ylanilino)propan-2-ol?
1-amino-3-(3-fluoro-4-morpholin-2-ylanilino)propan-2-ol has a molecular weight of 269.32 g/mol, XLogP of 0.22, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-fluoro-4-morpholin-2-ylanilino)propan-2-ol is sourced from PubChem (CID 175412994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).