3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propan-1-ol

C12H18FNO — CID 84781818

IUPAC3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1cc(F)cc(C(N)CCO)c1
InChIInChI=1S/C12H18FNO/c1-8(2)9-5-10(7-11(13)6-9)12(14)3-4-15/h5-8,12,15H,3-4,14H2,1-2H3
InChIKeyRRHLNAPMOBQFDG-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.33
Rot. Bonds4

About 3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propan-1-ol

3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propan-1-ol (PubChem CID 84781818) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propan-1-ol
PubChem CID84781818
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1cc(F)cc(C(N)CCO)c1
InChIInChI=1S/C12H18FNO/c1-8(2)9-5-10(7-11(13)6-9)12(14)3-4-15/h5-8,12,15H,3-4,14H2,1-2H3
InChIKeyRRHLNAPMOBQFDG-UHFFFAOYSA-N
XLogP2.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-3-(3,5-difluorophenyl)propan-1-ol;hydrochloride
CID 171204525
3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propanoic acid
CID 84790187
(3S)-3-amino-3-(3-propan-2-ylphenyl)propan-1-ol;hydrochloride
CID 171231623
(1S)-1-(3-chloro-5-fluorophenyl)-4-methylpentan-1-amine
CID 171224175
(2S)-2-amino-2-(3,5-difluorophenyl)ethanol
CID 55278901
(3-fluoro-5-propan-2-ylphenyl)methanol
CID 59192640
1-(3,5-difluorophenyl)hexan-1-amine
CID 62605213
3-amino-3-(3-fluoro-5-iodo-4-methylphenyl)propan-1-ol
CID 130060827
1-(3,5-difluorophenyl)-4-methylpent-4-en-1-amine
CID 114474387
(1S)-1-(3-chloro-5-fluorophenyl)butan-1-amine
CID 131091213
1-(difluoromethyl)-3-fluoro-5-propan-2-ylbenzene
CID 118404669
(3R)-3-amino-3-(3,5-dichlorophenyl)propan-1-ol;hydrochloride
CID 171202547

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propan-1-ol (CID 84781818) is 3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propan-1-ol is CC(C)c1cc(F)cc(C(N)CCO)c1.
What is the InChIKey of 3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propan-1-ol?
The InChIKey is RRHLNAPMOBQFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-8(2)9-5-10(7-11(13)6-9)12(14)3-4-15/h5-8,12,15H,3-4,14H2,1-2H3.
What are the key properties of 3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propan-1-ol?
3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propan-1-ol has a molecular weight of 211.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 84781818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).