2-(cyclopropylamino)-3-(3-fluoro-N-methylanilino)propan-1-ol

C13H19FN2O — CID 64789581

IUPAC2-(cyclopropylamino)-3-(3-fluoro-N-methylanilino)propan-1-ol
SMILESCN(CC(CO)NC1CC1)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-16(13-4-2-3-10(14)7-13)8-12(9-17)15-11-5-6-11/h2-4,7,11-12,15,17H,5-6,8-9H2,1H3
InChIKeyWZRTWJKKVPCAMC-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.37
Rot. Bonds6

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

2-(cyclopropylamino)-3-(3-fluoro-N-methylanilino)propan-1-ol (PubChem CID 64789581) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(3-fluoro-N-methylanilino)propan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(3-fluoro-N-methylanilino)propan-1-ol
PubChem CID64789581
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-(cyclopropylamino)-3-(3-fluoro-N-methylanilino)propan-1-ol
SMILESCN(CC(CO)NC1CC1)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-16(13-4-2-3-10(14)7-13)8-12(9-17)15-11-5-6-11/h2-4,7,11-12,15,17H,5-6,8-9H2,1H3
InChIKeyWZRTWJKKVPCAMC-UHFFFAOYSA-N
XLogP1.37
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol
CID 64789933
2-(cyclopropylamino)-4-(3-fluoro-N-methylanilino)butanamide
CID 63054343
1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 113448204
4-(3-fluoro-N-methylanilino)-2-(propylamino)butan-1-ol
CID 64791342
2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol
CID 61055012
2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol
CID 64810584
N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085371
N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
CID 115704573
N'-(3-fluorophenyl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448202
3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol
CID 64789932
2-(cyclopropylamino)-4-(N-ethyl-4-fluoroanilino)butan-1-ol
CID 64791325
1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone
CID 104750304

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(3-fluoro-N-methylanilino)propan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-3-(3-fluoro-N-methylanilino)propan-1-ol (CID 64789581) is 2-(cyclopropylamino)-3-(3-fluoro-N-methylanilino)propan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-3-(3-fluoro-N-methylanilino)propan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-3-(3-fluoro-N-methylanilino)propan-1-ol is CN(CC(CO)NC1CC1)c1cccc(F)c1.
What is the InChIKey of 2-(cyclopropylamino)-3-(3-fluoro-N-methylanilino)propan-1-ol?
The InChIKey is WZRTWJKKVPCAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-16(13-4-2-3-10(14)7-13)8-12(9-17)15-11-5-6-11/h2-4,7,11-12,15,17H,5-6,8-9H2,1H3.
What are the key properties of 2-(cyclopropylamino)-3-(3-fluoro-N-methylanilino)propan-1-ol?
2-(cyclopropylamino)-3-(3-fluoro-N-methylanilino)propan-1-ol has a molecular weight of 238.31 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(3-fluoro-N-methylanilino)propan-1-ol is sourced from PubChem (CID 64789581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).