1-[2-(4-fluorophenyl)ethylamino]butan-2-ol

C12H18FNO — CID 60886872

IUPAC1-[2-(4-fluorophenyl)ethylamino]butan-2-ol
SMILESCCC(O)CNCCc1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-2-12(15)9-14-8-7-10-3-5-11(13)6-4-10/h3-6,12,14-15H,2,7-9H2,1H3
InChIKeyZMQRZZVRHCQXSQ-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.73
Rot. Bonds6

About 1-[2-(4-fluorophenyl)ethylamino]butan-2-ol

1-[2-(4-fluorophenyl)ethylamino]butan-2-ol (PubChem CID 60886872) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethylamino]butan-2-ol
PubChem CID60886872
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-[2-(4-fluorophenyl)ethylamino]butan-2-ol
SMILESCCC(O)CNCCc1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-2-12(15)9-14-8-7-10-3-5-11(13)6-4-10/h3-6,12,14-15H,2,7-9H2,1H3
InChIKeyZMQRZZVRHCQXSQ-UHFFFAOYSA-N
XLogP1.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-fluorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 60632265
3-[2-(4-ethylphenyl)ethylamino]propane-1,2-diol
CID 115122267
3-[2-(4-fluorophenyl)ethylamino]-2-methylpropanoic acid
CID 43538395
1-(3-phenylpropylamino)butan-2-ol
CID 60905255
[2-(4-fluorophenyl)ethylamino]methanol
CID 69360802
N-[2-(4-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202719
2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81410771
N-[2-(4-fluorophenyl)ethyl]heptan-1-amine
CID 43129180
1-(2-thiophen-2-ylethylamino)butan-2-ol
CID 13476299
1-[2-(2-methylphenyl)ethylamino]butan-2-ol
CID 79749191
N-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine
CID 43807567
N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60687515

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethylamino]butan-2-ol?
The IUPAC name of 1-[2-(4-fluorophenyl)ethylamino]butan-2-ol (CID 60886872) is 1-[2-(4-fluorophenyl)ethylamino]butan-2-ol.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethylamino]butan-2-ol?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethylamino]butan-2-ol is CCC(O)CNCCc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethylamino]butan-2-ol?
The InChIKey is ZMQRZZVRHCQXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-2-12(15)9-14-8-7-10-3-5-11(13)6-4-10/h3-6,12,14-15H,2,7-9H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)ethylamino]butan-2-ol?
1-[2-(4-fluorophenyl)ethylamino]butan-2-ol has a molecular weight of 211.28 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethylamino]butan-2-ol is sourced from PubChem (CID 60886872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).