2-(2,3-difluorophenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine

C15H23F2NO — CID 63037166

IUPAC2-(2,3-difluorophenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(Oc1cccc(F)c1F)C(C)C
InChIInChI=1S/C15H23F2NO/c1-10(2)8-18-9-14(11(3)4)19-13-7-5-6-12(16)15(13)17/h5-7,10-11,14,18H,8-9H2,1-4H3
InChIKeyDOFODEAPEFGBJS-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.61
Rot. Bonds7

About 2-(2,3-difluorophenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine

2-(2,3-difluorophenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 63037166) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-(2,3-difluorophenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-(2,3-difluorophenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID63037166
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name2-(2,3-difluorophenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(Oc1cccc(F)c1F)C(C)C
InChIInChI=1S/C15H23F2NO/c1-10(2)8-18-9-14(11(3)4)19-13-7-5-6-12(16)15(13)17/h5-7,10-11,14,18H,8-9H2,1-4H3
InChIKeyDOFODEAPEFGBJS-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,3-difluorophenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(2-fluorophenoxy)-3-methylbutan-1-amine
CID 62454913
2-(2-fluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine
CID 62454914
N-[2-(2,3-difluorophenoxy)propyl]butan-1-amine
CID 55142850
2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107661313
3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55077780
2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62451206
N-[2-(3-chloro-2-fluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 116690396
4-(2,3-difluorophenoxy)pentan-2-amine
CID 64720911
2-(4-bromo-2-propan-2-ylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 115402763
3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
CID 63491943
N-ethyl-3-methyl-2-naphthalen-1-yloxybutan-1-amine
CID 62459225
2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 62516240

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-(2,3-difluorophenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 63037166) is 2-(2,3-difluorophenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-(2,3-difluorophenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-(2,3-difluorophenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(Oc1cccc(F)c1F)C(C)C.
What is the InChIKey of 2-(2,3-difluorophenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is DOFODEAPEFGBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-10(2)8-18-9-14(11(3)4)19-13-7-5-6-12(16)15(13)17/h5-7,10-11,14,18H,8-9H2,1-4H3.
What are the key properties of 2-(2,3-difluorophenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine?
2-(2,3-difluorophenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 271.35 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 63037166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).