2-ethyl-2-[[(3-fluorophenyl)methyl-methylamino]methyl]butan-1-ol

C15H24FNO — CID 62271084

IUPAC2-ethyl-2-[[(3-fluorophenyl)methyl-methylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CN(C)Cc1cccc(F)c1
InChIInChI=1S/C15H24FNO/c1-4-15(5-2,12-18)11-17(3)10-13-7-6-8-14(16)9-13/h6-9,18H,4-5,10-12H2,1-3H3
InChIKeyOFCAPPLIHZIABO-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.06
Rot. Bonds7

About 2-ethyl-2-[[(3-fluorophenyl)methyl-methylamino]methyl]butan-1-ol

2-ethyl-2-[[(3-fluorophenyl)methyl-methylamino]methyl]butan-1-ol (PubChem CID 62271084) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-ethyl-2-[[(3-fluorophenyl)methyl-methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(3-fluorophenyl)methyl-methylamino]methyl]butan-1-ol
PubChem CID62271084
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name2-ethyl-2-[[(3-fluorophenyl)methyl-methylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CN(C)Cc1cccc(F)c1
InChIInChI=1S/C15H24FNO/c1-4-15(5-2,12-18)11-17(3)10-13-7-6-8-14(16)9-13/h6-9,18H,4-5,10-12H2,1-3H3
InChIKeyOFCAPPLIHZIABO-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol
CID 66060199
2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 115257984
4-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66454766
N-ethyl-N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 62263625
2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 28802156
3-[(3-fluorophenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134180
2-amino-2-ethyl-N-[(3-fluorophenyl)methyl]-N-methylbutanamide
CID 79810018
2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 61286506
2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55055981
2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78894496
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol
CID 55055189
2-ethyl-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 62519065

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(3-fluorophenyl)methyl-methylamino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(3-fluorophenyl)methyl-methylamino]methyl]butan-1-ol (CID 62271084) is 2-ethyl-2-[[(3-fluorophenyl)methyl-methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(3-fluorophenyl)methyl-methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(3-fluorophenyl)methyl-methylamino]methyl]butan-1-ol is CCC(CC)(CO)CN(C)Cc1cccc(F)c1.
What is the InChIKey of 2-ethyl-2-[[(3-fluorophenyl)methyl-methylamino]methyl]butan-1-ol?
The InChIKey is OFCAPPLIHZIABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-4-15(5-2,12-18)11-17(3)10-13-7-6-8-14(16)9-13/h6-9,18H,4-5,10-12H2,1-3H3.
What are the key properties of 2-ethyl-2-[[(3-fluorophenyl)methyl-methylamino]methyl]butan-1-ol?
2-ethyl-2-[[(3-fluorophenyl)methyl-methylamino]methyl]butan-1-ol has a molecular weight of 253.36 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(3-fluorophenyl)methyl-methylamino]methyl]butan-1-ol is sourced from PubChem (CID 62271084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).