2-amino-1-(4-ethylphenyl)-3-fluoropropan-1-ol

C11H16FNO — CID 123193728

IUPAC2-amino-1-(4-ethylphenyl)-3-fluoropropan-1-ol
SMILESCCc1ccc(C(O)C(N)CF)cc1
InChIInChI=1S/C11H16FNO/c1-2-8-3-5-9(6-4-8)11(14)10(13)7-12/h3-6,10-11,14H,2,7,13H2,1H3
InChIKeyMPLFCJBQYLHZNZ-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.58
Rot. Bonds4

About 2-amino-1-(4-ethylphenyl)-3-fluoropropan-1-ol

2-amino-1-(4-ethylphenyl)-3-fluoropropan-1-ol (PubChem CID 123193728) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-amino-1-(4-ethylphenyl)-3-fluoropropan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-ethylphenyl)-3-fluoropropan-1-ol
PubChem CID123193728
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-amino-1-(4-ethylphenyl)-3-fluoropropan-1-ol
SMILESCCc1ccc(C(O)C(N)CF)cc1
InChIInChI=1S/C11H16FNO/c1-2-8-3-5-9(6-4-8)11(14)10(13)7-12/h3-6,10-11,14H,2,7,13H2,1H3
InChIKeyMPLFCJBQYLHZNZ-UHFFFAOYSA-N
XLogP1.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
2-amino-1-(4-ethylphenyl)propan-1-ol
CID 43209069
(1S,2R)-2-amino-3-fluoro-1-(4-iodophenyl)propan-1-ol
CID 124657692
(2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol
CID 69143338
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
(1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride
CID 171270161
ethyl 3-(4-ethylphenyl)-2-fluoro-3-hydroxypropanoate
CID 79366833
(1R)-2-amino-3-fluoro-1-[4-(methylsulfonimidoyl)phenyl]propan-1-ol
CID 134222109
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
(1S)-2-amino-1-(4-ethylphenyl)ethanol
CID 42182576
chloro-(4-ethylphenyl)methanamine
CID 116947710
[4-(difluoromethyl)phenyl]-(4-ethylphenyl)methanol
CID 115524847

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-ethylphenyl)-3-fluoropropan-1-ol?
The IUPAC name of 2-amino-1-(4-ethylphenyl)-3-fluoropropan-1-ol (CID 123193728) is 2-amino-1-(4-ethylphenyl)-3-fluoropropan-1-ol.
What is the SMILES notation for 2-amino-1-(4-ethylphenyl)-3-fluoropropan-1-ol?
The canonical SMILES for 2-amino-1-(4-ethylphenyl)-3-fluoropropan-1-ol is CCc1ccc(C(O)C(N)CF)cc1.
What is the InChIKey of 2-amino-1-(4-ethylphenyl)-3-fluoropropan-1-ol?
The InChIKey is MPLFCJBQYLHZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-2-8-3-5-9(6-4-8)11(14)10(13)7-12/h3-6,10-11,14H,2,7,13H2,1H3.
What are the key properties of 2-amino-1-(4-ethylphenyl)-3-fluoropropan-1-ol?
2-amino-1-(4-ethylphenyl)-3-fluoropropan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-ethylphenyl)-3-fluoropropan-1-ol is sourced from PubChem (CID 123193728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).