1-amino-3-(5-chloro-2-fluoro-N-methylanilino)propan-2-ol

C10H14ClFN2O — CID 115121269

IUPAC1-amino-3-(5-chloro-2-fluoro-N-methylanilino)propan-2-ol
SMILESCN(CC(O)CN)c1cc(Cl)ccc1F
InChIInChI=1S/C10H14ClFN2O/c1-14(6-8(15)5-13)10-4-7(11)2-3-9(10)12/h2-4,8,15H,5-6,13H2,1H3
InChIKeyVQXOGXNRYZGDQR-UHFFFAOYSA-N
MW232.69 g/mol
LogP1.23
Rot. Bonds4

About 1-amino-3-(5-chloro-2-fluoro-N-methylanilino)propan-2-ol

1-amino-3-(5-chloro-2-fluoro-N-methylanilino)propan-2-ol (PubChem CID 115121269) has the molecular formula C10H14ClFN2O and a molecular weight of 232.69 g/mol. Its IUPAC name is 1-amino-3-(5-chloro-2-fluoro-N-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(5-chloro-2-fluoro-N-methylanilino)propan-2-ol
PubChem CID115121269
Molecular FormulaC10H14ClFN2O
Molecular Weight232.69 g/mol
Exact Mass232.08
IUPAC Name1-amino-3-(5-chloro-2-fluoro-N-methylanilino)propan-2-ol
SMILESCN(CC(O)CN)c1cc(Cl)ccc1F
InChIInChI=1S/C10H14ClFN2O/c1-14(6-8(15)5-13)10-4-7(11)2-3-9(10)12/h2-4,8,15H,5-6,13H2,1H3
InChIKeyVQXOGXNRYZGDQR-UHFFFAOYSA-N
XLogP1.23
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(5-chloro-2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115198408
5-chloro-N-ethyl-2-fluoro-N-methylaniline
CID 115259333
methyl 4-(5-chloro-2-fluoro-N-methylanilino)butanoate
CID 115233388
1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 115121708
4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol
CID 117039096
4-chloro-2-[(2-hydroxy-3-methoxypropyl)-methylamino]benzaldehyde
CID 114844149
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-5-chloro-2-fluoro-N-methylaniline
CID 115249337
4-amino-N-(5-chloro-2-fluorophenyl)-N-methylbutanamide
CID 115155218
4-chloro-2-[2-hydroxypropyl(methyl)amino]benzonitrile
CID 63083146
5-chloro-2-[2-hydroxypropyl(methyl)amino]benzenecarbothioamide
CID 62493541
2-amino-N-(5-chloro-2-fluorophenyl)-N-methylpropanamide
CID 115152312
1-amino-3-[N-methyl-4-(trifluoromethyl)anilino]propan-2-ol
CID 70591029

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(5-chloro-2-fluoro-N-methylanilino)propan-2-ol?
The IUPAC name of 1-amino-3-(5-chloro-2-fluoro-N-methylanilino)propan-2-ol (CID 115121269) is 1-amino-3-(5-chloro-2-fluoro-N-methylanilino)propan-2-ol.
What is the SMILES notation for 1-amino-3-(5-chloro-2-fluoro-N-methylanilino)propan-2-ol?
The canonical SMILES for 1-amino-3-(5-chloro-2-fluoro-N-methylanilino)propan-2-ol is CN(CC(O)CN)c1cc(Cl)ccc1F.
What is the InChIKey of 1-amino-3-(5-chloro-2-fluoro-N-methylanilino)propan-2-ol?
The InChIKey is VQXOGXNRYZGDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O/c1-14(6-8(15)5-13)10-4-7(11)2-3-9(10)12/h2-4,8,15H,5-6,13H2,1H3.
What are the key properties of 1-amino-3-(5-chloro-2-fluoro-N-methylanilino)propan-2-ol?
1-amino-3-(5-chloro-2-fluoro-N-methylanilino)propan-2-ol has a molecular weight of 232.69 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(5-chloro-2-fluoro-N-methylanilino)propan-2-ol is sourced from PubChem (CID 115121269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).