2-(2,4-difluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine

C14H21F2NO — CID 62449645

IUPAC2-(2,4-difluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(Oc1ccc(F)cc1F)C(C)C
InChIInChI=1S/C14H21F2NO/c1-9(2)14(8-17-10(3)4)18-13-6-5-11(15)7-12(13)16/h5-7,9-10,14,17H,8H2,1-4H3
InChIKeyVTWZPLKOLDEATO-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.37
Rot. Bonds6

About 2-(2,4-difluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine

2-(2,4-difluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 62449645) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID62449645
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name2-(2,4-difluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(Oc1ccc(F)cc1F)C(C)C
InChIInChI=1S/C14H21F2NO/c1-9(2)14(8-17-10(3)4)18-13-6-5-11(15)7-12(13)16/h5-7,9-10,14,17H,8H2,1-4H3
InChIKeyVTWZPLKOLDEATO-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine
CID 62454914
N-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 55077634
N-[2-(2,5-difluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 55167175
N-[2-(2,4-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 62450002
2-(2,4-difluorophenoxy)-N-prop-2-ynylpropan-1-amine
CID 62572544
2-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-methyl-N-propan-2-ylbutan-1-amine
CID 102747422
2-(2-bromo-4-fluorophenoxy)-3-methyl-N-propylbutan-1-amine
CID 55078029
N-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine
CID 62571941
N-ethyl-2-(2-fluorophenoxy)-3-methylbutan-1-amine
CID 62454913
3-methyl-N-propan-2-yl-2-(2,3,5-trimethylphenoxy)butan-1-amine
CID 63496827
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090
N-[2-(2,4-difluorophenoxy)ethyl]-3-methylbutan-2-amine
CID 55088305

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(2,4-difluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine (CID 62449645) is 2-(2,4-difluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(2,4-difluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine is CC(C)NCC(Oc1ccc(F)cc1F)C(C)C.
What is the InChIKey of 2-(2,4-difluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is VTWZPLKOLDEATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-9(2)14(8-17-10(3)4)18-13-6-5-11(15)7-12(13)16/h5-7,9-10,14,17H,8H2,1-4H3.
What are the key properties of 2-(2,4-difluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine?
2-(2,4-difluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 257.32 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62449645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).