1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol

C15H24FNO — CID 55139894

IUPAC1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
SMILESCC(c1ccccc1F)N(C)CC(O)C(C)(C)C
InChIInChI=1S/C15H24FNO/c1-11(12-8-6-7-9-13(12)16)17(5)10-14(18)15(2,3)4/h6-9,11,14,18H,10H2,1-5H3
InChIKeyHJLMWJQSBMVXAG-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.23
Rot. Bonds4

About 1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol

1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol (PubChem CID 55139894) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
PubChem CID55139894
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
SMILESCC(c1ccccc1F)N(C)CC(O)C(C)(C)C
InChIInChI=1S/C15H24FNO/c1-11(12-8-6-7-9-13(12)16)17(5)10-14(18)15(2,3)4/h6-9,11,14,18H,10H2,1-5H3
InChIKeyHJLMWJQSBMVXAG-UHFFFAOYSA-N
XLogP3.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625
2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanol
CID 62983990
1-N-[1-(2-fluorophenyl)ethyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452582
1-[1-(2-fluorophenyl)ethyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol
CID 115475277
2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
CID 62979540
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 62979148
N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine
CID 113440610
1-N-[1-(2-fluorophenyl)ethyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 81101528
N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
CID 106114801
3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol
CID 64898179
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
CID 62985981
2-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpentan-1-amine
CID 65013097

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol (CID 55139894) is 1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol is CC(c1ccccc1F)N(C)CC(O)C(C)(C)C.
What is the InChIKey of 1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol?
The InChIKey is HJLMWJQSBMVXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-11(12-8-6-7-9-13(12)16)17(5)10-14(18)15(2,3)4/h6-9,11,14,18H,10H2,1-5H3.
What are the key properties of 1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol?
1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol has a molecular weight of 253.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 55139894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).