1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine

C15H23F2NO — CID 105013377

IUPAC1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
SMILESCCCNC(COC(C)C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H23F2NO/c1-4-7-18-13(10-19-11(2)3)8-12-5-6-14(16)15(17)9-12/h5-6,9,11,13,18H,4,7-8,10H2,1-3H3
InChIKeyBJXSPDMHUKWQKY-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.30
Rot. Bonds8

About 1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine

1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine (PubChem CID 105013377) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
PubChem CID105013377
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
SMILESCCCNC(COC(C)C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H23F2NO/c1-4-7-18-13(10-19-11(2)3)8-12-5-6-14(16)15(17)9-12/h5-6,9,11,13,18H,4,7-8,10H2,1-3H3
InChIKeyBJXSPDMHUKWQKY-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105176044
1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine
CID 82922348
1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 114875109
1-propan-2-yloxy-N-propyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 105013266
1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine
CID 105028359
1-(3,4-difluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 82922146
4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 82922479
1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine
CID 82919675
1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 115846981
1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105172212
1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103556973
1-(3-fluoro-4-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131905

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine (CID 105013377) is 1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine is CCCNC(COC(C)C)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine?
The InChIKey is BJXSPDMHUKWQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-4-7-18-13(10-19-11(2)3)8-12-5-6-14(16)15(17)9-12/h5-6,9,11,13,18H,4,7-8,10H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine?
1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine has a molecular weight of 271.35 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine is sourced from PubChem (CID 105013377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).