2-[2-(2-fluorophenyl)ethylamino]-3-methylbutan-1-ol

C13H20FNO — CID 115137737

IUPAC2-[2-(2-fluorophenyl)ethylamino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)NCCc1ccccc1F
InChIInChI=1S/C13H20FNO/c1-10(2)13(9-16)15-8-7-11-5-3-4-6-12(11)14/h3-6,10,13,15-16H,7-9H2,1-2H3
InChIKeyBIUKGUYCWPAYGT-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.97
Rot. Bonds6

About 2-[2-(2-fluorophenyl)ethylamino]-3-methylbutan-1-ol

2-[2-(2-fluorophenyl)ethylamino]-3-methylbutan-1-ol (PubChem CID 115137737) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethylamino]-3-methylbutan-1-ol
PubChem CID115137737
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name2-[2-(2-fluorophenyl)ethylamino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)NCCc1ccccc1F
InChIInChI=1S/C13H20FNO/c1-10(2)13(9-16)15-8-7-11-5-3-4-6-12(11)14/h3-6,10,13,15-16H,7-9H2,1-2H3
InChIKeyBIUKGUYCWPAYGT-UHFFFAOYSA-N
XLogP1.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2,5-difluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 115137699
3-methyl-2-(2-naphthalen-1-ylethylamino)butan-1-ol
CID 115137751
2-[2-(2-fluorophenyl)ethylamino]-2-phenylethanol
CID 110012007
N-[2-(2-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 43095856
methyl 3-[2-(2-fluorophenyl)ethylamino]butanoate
CID 43536690
2-(2-fluoroanilino)-3-methylbutan-1-ol
CID 61317704
2-[2-(2-fluorophenyl)ethylamino]-N-(methylcarbamoyl)propanamide
CID 43084409
1-(2-bromophenyl)-N-[2-(2-fluorophenyl)ethyl]ethanamine
CID 43193148
N-[2-(2-fluorophenyl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 43097346
2-[(2-fluorophenyl)methyl]-3-methylbutan-1-ol
CID 66059618
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012
N-[2-(2-fluorophenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 43760653

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-3-methylbutan-1-ol?
The IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-3-methylbutan-1-ol (CID 115137737) is 2-[2-(2-fluorophenyl)ethylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethylamino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethylamino]-3-methylbutan-1-ol is CC(C)C(CO)NCCc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethylamino]-3-methylbutan-1-ol?
The InChIKey is BIUKGUYCWPAYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-10(2)13(9-16)15-8-7-11-5-3-4-6-12(11)14/h3-6,10,13,15-16H,7-9H2,1-2H3.
What are the key properties of 2-[2-(2-fluorophenyl)ethylamino]-3-methylbutan-1-ol?
2-[2-(2-fluorophenyl)ethylamino]-3-methylbutan-1-ol has a molecular weight of 225.31 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 115137737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).