2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol

C14H22FNO — CID 81410771

IUPAC2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNCCc1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-3-14(2,11-17)10-16-9-8-12-4-6-13(15)7-5-12/h4-7,16-17H,3,8-11H2,1-2H3
InChIKeyXHLALUOFJWMOMU-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.37
Rot. Bonds7

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

2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol (PubChem CID 81410771) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol
PubChem CID81410771
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNCCc1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-3-14(2,11-17)10-16-9-8-12-4-6-13(15)7-5-12/h4-7,16-17H,3,8-11H2,1-2H3
InChIKeyXHLALUOFJWMOMU-UHFFFAOYSA-N
XLogP2.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.37
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-N-[2-(4-fluorophenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222407
2-[[(4-ethylphenyl)methylamino]methyl]-2-methylbutan-1-ol
CID 103828079
[2-(4-fluorophenyl)ethylamino]methanol
CID 69360802
1-[2-(4-fluorophenyl)ethylamino]butan-2-ol
CID 60886872
N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60687515
2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 62718470
2-methyl-2-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]butan-1-ol
CID 81419956
2-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81411810
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide
CID 132962553
2-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol
CID 62266717
N-[2-(4-fluorophenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209362
2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 63509171

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol (CID 81410771) is 2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNCCc1ccc(F)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol?
The InChIKey is XHLALUOFJWMOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-3-14(2,11-17)10-16-9-8-12-4-6-13(15)7-5-12/h4-7,16-17H,3,8-11H2,1-2H3.
What are the key properties of 2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol?
2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81410771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).