1-(cyclopropylamino)-2-(3-fluoro-5-methylphenyl)propan-2-ol

C13H18FNO — CID 79704774

IUPAC1-(cyclopropylamino)-2-(3-fluoro-5-methylphenyl)propan-2-ol
SMILESCc1cc(F)cc(C(C)(O)CNC2CC2)c1
InChIInChI=1S/C13H18FNO/c1-9-5-10(7-11(14)6-9)13(2,16)8-15-12-3-4-12/h5-7,12,15-16H,3-4,8H2,1-2H3
InChIKeyGWTBHIDQOQEBOO-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.09
Rot. Bonds4

About 1-(cyclopropylamino)-2-(3-fluoro-5-methylphenyl)propan-2-ol

1-(cyclopropylamino)-2-(3-fluoro-5-methylphenyl)propan-2-ol (PubChem CID 79704774) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2-(3-fluoro-5-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-2-(3-fluoro-5-methylphenyl)propan-2-ol
PubChem CID79704774
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-(cyclopropylamino)-2-(3-fluoro-5-methylphenyl)propan-2-ol
SMILESCc1cc(F)cc(C(C)(O)CNC2CC2)c1
InChIInChI=1S/C13H18FNO/c1-9-5-10(7-11(14)6-9)13(2,16)8-15-12-3-4-12/h5-7,12,15-16H,3-4,8H2,1-2H3
InChIKeyGWTBHIDQOQEBOO-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(3-fluoro-5-methylphenyl)propan-2-ol
CID 79704426
1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol
CID 62772825
1-(cyclopropylamino)-2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 107290618
N-[2-(3,5-difluorophenyl)-2,2-difluoroethyl]cyclopropanamine
CID 83107512
1-(cyclopropylamino)-2-(4-methoxyphenyl)propan-2-ol
CID 62773017
2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol
CID 116507021
2-(3-fluoro-5-methylphenyl)-1-(4-fluorophenyl)propan-2-ol
CID 114832963
2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol
CID 79692026
2-(3-fluoro-5-methylphenyl)-3,3-dimethylbutan-2-ol
CID 115401195
2-(4-chloro-3-methoxyphenyl)-1-(cyclopropylamino)propan-2-ol
CID 79697533
1-(cyclopropylamino)-2-(9H-fluoren-2-yl)propan-2-ol
CID 62775351
(2R)-2-(4-fluorophenyl)-1-[[(1S)-4-(4-fluorophenyl)cyclohex-3-en-1-yl]amino]propan-2-ol
CID 97261465

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2-(3-fluoro-5-methylphenyl)propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-2-(3-fluoro-5-methylphenyl)propan-2-ol (CID 79704774) is 1-(cyclopropylamino)-2-(3-fluoro-5-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-2-(3-fluoro-5-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-2-(3-fluoro-5-methylphenyl)propan-2-ol is Cc1cc(F)cc(C(C)(O)CNC2CC2)c1.
What is the InChIKey of 1-(cyclopropylamino)-2-(3-fluoro-5-methylphenyl)propan-2-ol?
The InChIKey is GWTBHIDQOQEBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-5-10(7-11(14)6-9)13(2,16)8-15-12-3-4-12/h5-7,12,15-16H,3-4,8H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-2-(3-fluoro-5-methylphenyl)propan-2-ol?
1-(cyclopropylamino)-2-(3-fluoro-5-methylphenyl)propan-2-ol has a molecular weight of 223.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2-(3-fluoro-5-methylphenyl)propan-2-ol is sourced from PubChem (CID 79704774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).