2-[2-(2,5-difluorophenyl)ethyl-methylamino]-3-methylbutan-1-ol

C14H21F2NO — CID 115137787

IUPAC2-[2-(2,5-difluorophenyl)ethyl-methylamino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)N(C)CCc1cc(F)ccc1F
InChIInChI=1S/C14H21F2NO/c1-10(2)14(9-18)17(3)7-6-11-8-12(15)4-5-13(11)16/h4-5,8,10,14,18H,6-7,9H2,1-3H3
InChIKeyRYJDHPHLBNKZQX-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.46
Rot. Bonds6

About 2-[2-(2,5-difluorophenyl)ethyl-methylamino]-3-methylbutan-1-ol

2-[2-(2,5-difluorophenyl)ethyl-methylamino]-3-methylbutan-1-ol (PubChem CID 115137787) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-[2-(2,5-difluorophenyl)ethyl-methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[2-(2,5-difluorophenyl)ethyl-methylamino]-3-methylbutan-1-ol
PubChem CID115137787
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name2-[2-(2,5-difluorophenyl)ethyl-methylamino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)N(C)CCc1cc(F)ccc1F
InChIInChI=1S/C14H21F2NO/c1-10(2)14(9-18)17(3)7-6-11-8-12(15)4-5-13(11)16/h4-5,8,10,14,18H,6-7,9H2,1-3H3
InChIKeyRYJDHPHLBNKZQX-UHFFFAOYSA-N
XLogP2.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2,5-difluorophenyl)ethyl-methylamino]ethanol
CID 115216384
N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141045
2-[2-(2,5-difluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 115137699
2-[(3,4-difluorophenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137602
2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol
CID 62021731
2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide
CID 115162189
1,4-difluoro-2-(propan-2-yloxymethyl)benzene
CID 58479340
5-(2,5-difluorophenyl)pentane-2,3-diol
CID 83936139
2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 117042003
2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol
CID 115137771
3-methyl-2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-1-ol
CID 115137792
4-[2-(2,5-difluorophenyl)ethyl-methylamino]cyclohexan-1-ol
CID 115149605

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-difluorophenyl)ethyl-methylamino]-3-methylbutan-1-ol?
The IUPAC name of 2-[2-(2,5-difluorophenyl)ethyl-methylamino]-3-methylbutan-1-ol (CID 115137787) is 2-[2-(2,5-difluorophenyl)ethyl-methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[2-(2,5-difluorophenyl)ethyl-methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[2-(2,5-difluorophenyl)ethyl-methylamino]-3-methylbutan-1-ol is CC(C)C(CO)N(C)CCc1cc(F)ccc1F.
What is the InChIKey of 2-[2-(2,5-difluorophenyl)ethyl-methylamino]-3-methylbutan-1-ol?
The InChIKey is RYJDHPHLBNKZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-10(2)14(9-18)17(3)7-6-11-8-12(15)4-5-13(11)16/h4-5,8,10,14,18H,6-7,9H2,1-3H3.
What are the key properties of 2-[2-(2,5-difluorophenyl)ethyl-methylamino]-3-methylbutan-1-ol?
2-[2-(2,5-difluorophenyl)ethyl-methylamino]-3-methylbutan-1-ol has a molecular weight of 257.32 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-difluorophenyl)ethyl-methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 115137787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).