3-fluoro-2-(2-methylpropylamino)propan-1-ol

C7H16FNO — CID 161475467

IUPAC3-fluoro-2-(2-methylpropylamino)propan-1-ol
SMILESCC(C)CNC(CO)CF
InChIInChI=1S/C7H16FNO/c1-6(2)4-9-7(3-8)5-10/h6-7,9-10H,3-5H2,1-2H3
InChIKeyGYDXVGGHKABAMR-UHFFFAOYSA-N
MW149.21 g/mol
LogP0.56
Rot. Bonds5

About 3-fluoro-2-(2-methylpropylamino)propan-1-ol

3-fluoro-2-(2-methylpropylamino)propan-1-ol (PubChem CID 161475467) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is 3-fluoro-2-(2-methylpropylamino)propan-1-ol.

Molecular Properties

Compound Name3-fluoro-2-(2-methylpropylamino)propan-1-ol
PubChem CID161475467
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC Name3-fluoro-2-(2-methylpropylamino)propan-1-ol
SMILESCC(C)CNC(CO)CF
InChIInChI=1S/C7H16FNO/c1-6(2)4-9-7(3-8)5-10/h6-7,9-10H,3-5H2,1-2H3
InChIKeyGYDXVGGHKABAMR-UHFFFAOYSA-N
XLogP0.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-Methylpropyl)amino]ethanol
CID 98429
2-(Isobutylamino)ethanol
CID 28264
(S)-2-Isopropylamino-3-methyl-1-butanol
CID 13778611
2-(Ethylamino)butan-1-ol
CID 469952
2-[(1-Ethylpropyl)amino]ethanol
CID 245049
2-(Ethylamino)propan-1-ol
CID 14302278
(2S)-2-(ethylamino)propan-1-ol
CID 14302279
(S)-2-Isopropylaminopropane-1-Ol
CID 14387473
2-Methyl-2-(propan-2-ylamino)propan-1-ol
CID 15105175
(2R)-2-(ethylamino)propan-1-ol
CID 28064758
2-((2-Methylpropyl)amino)ethan-1-ol hydrochloride
CID 53433681
3-Methyl-2-(methylamino)-1-butanol
CID 559608

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-methylpropylamino)propan-1-ol?
The IUPAC name of 3-fluoro-2-(2-methylpropylamino)propan-1-ol (CID 161475467) is 3-fluoro-2-(2-methylpropylamino)propan-1-ol.
What is the SMILES notation for 3-fluoro-2-(2-methylpropylamino)propan-1-ol?
The canonical SMILES for 3-fluoro-2-(2-methylpropylamino)propan-1-ol is CC(C)CNC(CO)CF.
What is the InChIKey of 3-fluoro-2-(2-methylpropylamino)propan-1-ol?
The InChIKey is GYDXVGGHKABAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO/c1-6(2)4-9-7(3-8)5-10/h6-7,9-10H,3-5H2,1-2H3.
What are the key properties of 3-fluoro-2-(2-methylpropylamino)propan-1-ol?
3-fluoro-2-(2-methylpropylamino)propan-1-ol has a molecular weight of 149.21 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-methylpropylamino)propan-1-ol is sourced from PubChem (CID 161475467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).