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

C17H25F2NO — CID 103556973

IUPAC1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(F)c(F)c1)CC1(OC)CCC1
InChIInChI=1S/C17H25F2NO/c1-3-9-20-14(12-17(21-2)7-4-8-17)10-13-5-6-15(18)16(19)11-13/h5-6,11,14,20H,3-4,7-10,12H2,1-2H3
InChIKeyZICZCSFUBPOVAF-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.83
Rot. Bonds8

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

1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine (PubChem CID 103556973) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
PubChem CID103556973
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(F)c(F)c1)CC1(OC)CCC1
InChIInChI=1S/C17H25F2NO/c1-3-9-20-14(12-17(21-2)7-4-8-17)10-13-5-6-15(18)16(19)11-13/h5-6,11,14,20H,3-4,7-10,12H2,1-2H3
InChIKeyZICZCSFUBPOVAF-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103556970
1-(2-chloro-6-fluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103556904
1-(1-methoxycyclobutyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 103559792
N-ethyl-1-(3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103556929
1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 103559122
1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine
CID 82922348
1-(furan-2-yl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103559757
1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105013377
4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 82922479
1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine
CID 105028359
N-[1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103556420
1-(3,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105176044

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine (CID 103556973) is 1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine is CCCNC(Cc1ccc(F)c(F)c1)CC1(OC)CCC1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine?
The InChIKey is ZICZCSFUBPOVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-3-9-20-14(12-17(21-2)7-4-8-17)10-13-5-6-15(18)16(19)11-13/h5-6,11,14,20H,3-4,7-10,12H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine?
1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine has a molecular weight of 297.39 g/mol, XLogP of 3.83, 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-(1-methoxycyclobutyl)-N-propylpropan-2-amine is sourced from PubChem (CID 103556973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).