3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]butan-2-ol

C12H18FNO — CID 81347681

IUPAC3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]butan-2-ol
SMILESCC(O)C(C)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-8(10(3)15)14-9(2)11-4-6-12(13)7-5-11/h4-10,14-15H,1-3H3/t8?,9-,10?/m1/s1
InChIKeyIWHNJGFBIAOGPF-HWOCKDDLSA-N
MW211.28 g/mol
LogP2.25
Rot. Bonds4

About 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]butan-2-ol

3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]butan-2-ol (PubChem CID 81347681) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]butan-2-ol.

Molecular Properties

Compound Name3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]butan-2-ol
PubChem CID81347681
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]butan-2-ol
SMILESCC(O)C(C)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-8(10(3)15)14-9(2)11-4-6-12(13)7-5-11/h4-10,14-15H,1-3H3/t8?,9-,10?/m1/s1
InChIKeyIWHNJGFBIAOGPF-HWOCKDDLSA-N
XLogP2.25
TPSA32.26 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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]butan-2-ol
CID 81352452
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81354443
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 93033609
2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol
CID 81347161
methyl 2-[1-(4-fluorophenyl)ethylamino]propanoate
CID 60677237
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81347234
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
N-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43201964
(1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 8000472

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]butan-2-ol?
The IUPAC name of 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]butan-2-ol (CID 81347681) is 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]butan-2-ol.
What is the SMILES notation for 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]butan-2-ol?
The canonical SMILES for 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]butan-2-ol is CC(O)C(C)N[C@H](C)c1ccc(F)cc1.
What is the InChIKey of 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]butan-2-ol?
The InChIKey is IWHNJGFBIAOGPF-HWOCKDDLSA-N. The full InChI is InChI=1S/C12H18FNO/c1-8(10(3)15)14-9(2)11-4-6-12(13)7-5-11/h4-10,14-15H,1-3H3/t8?,9-,10?/m1/s1.
What are the key properties of 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]butan-2-ol?
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]butan-2-ol has a molecular weight of 211.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]butan-2-ol is sourced from PubChem (CID 81347681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).