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

C13H19FN2O — CID 64818513

IUPAC1-amino-2-cyclopropyl-3-(3-fluoro-N-methylanilino)propan-2-ol
SMILESCN(CC(O)(CN)C1CC1)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-16(12-4-2-3-11(14)7-12)9-13(17,8-15)10-5-6-10/h2-4,7,10,17H,5-6,8-9,15H2,1H3
InChIKeyWMRCGCSWWQIEKC-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.36
Rot. Bonds5

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

1-amino-2-cyclopropyl-3-(3-fluoro-N-methylanilino)propan-2-ol (PubChem CID 64818513) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-(3-fluoro-N-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-(3-fluoro-N-methylanilino)propan-2-ol
PubChem CID64818513
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-amino-2-cyclopropyl-3-(3-fluoro-N-methylanilino)propan-2-ol
SMILESCN(CC(O)(CN)C1CC1)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-16(12-4-2-3-11(14)7-12)9-13(17,8-15)10-5-6-10/h2-4,7,10,17H,5-6,8-9,15H2,1H3
InChIKeyWMRCGCSWWQIEKC-UHFFFAOYSA-N
XLogP1.36
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 62259102
N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204355
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-3-fluoro-N-methylaniline
CID 62462333
1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62487752
3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide
CID 79631069
2-amino-3-(3-fluoro-N-methylanilino)-2-phenylpropan-1-ol
CID 64790753
1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 113448204
1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone
CID 104750304
N-(chloromethyl)-3-fluoro-N-methylaniline
CID 115262926
3-(3-fluoro-N-methylanilino)-2,2-dimethyl-1-phenylpropan-1-one
CID 63193607
N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085371
2-(cyclopropylamino)-3-(3-fluoro-N-methylanilino)propan-1-ol
CID 64789581

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-(3-fluoro-N-methylanilino)propan-2-ol?
The IUPAC name of 1-amino-2-cyclopropyl-3-(3-fluoro-N-methylanilino)propan-2-ol (CID 64818513) is 1-amino-2-cyclopropyl-3-(3-fluoro-N-methylanilino)propan-2-ol.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-(3-fluoro-N-methylanilino)propan-2-ol?
The canonical SMILES for 1-amino-2-cyclopropyl-3-(3-fluoro-N-methylanilino)propan-2-ol is CN(CC(O)(CN)C1CC1)c1cccc(F)c1.
What is the InChIKey of 1-amino-2-cyclopropyl-3-(3-fluoro-N-methylanilino)propan-2-ol?
The InChIKey is WMRCGCSWWQIEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-16(12-4-2-3-11(14)7-12)9-13(17,8-15)10-5-6-10/h2-4,7,10,17H,5-6,8-9,15H2,1H3.
What are the key properties of 1-amino-2-cyclopropyl-3-(3-fluoro-N-methylanilino)propan-2-ol?
1-amino-2-cyclopropyl-3-(3-fluoro-N-methylanilino)propan-2-ol has a molecular weight of 238.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-3-(3-fluoro-N-methylanilino)propan-2-ol is sourced from PubChem (CID 64818513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).