1-(3,5-difluorophenyl)-3-methoxy-N-propylhexan-2-amine

C16H25F2NO — CID 105407006

IUPAC1-(3,5-difluorophenyl)-3-methoxy-N-propylhexan-2-amine
SMILESCCCNC(Cc1cc(F)cc(F)c1)C(CCC)OC
InChIInChI=1S/C16H25F2NO/c1-4-6-16(20-3)15(19-7-5-2)10-12-8-13(17)11-14(18)9-12/h8-9,11,15-16,19H,4-7,10H2,1-3H3
InChIKeyKFZLANOHUBHPEJ-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.69
Rot. Bonds9

About 1-(3,5-difluorophenyl)-3-methoxy-N-propylhexan-2-amine

1-(3,5-difluorophenyl)-3-methoxy-N-propylhexan-2-amine (PubChem CID 105407006) has the molecular formula C16H25F2NO and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-methoxy-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-methoxy-N-propylhexan-2-amine
PubChem CID105407006
Molecular FormulaC16H25F2NO
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name1-(3,5-difluorophenyl)-3-methoxy-N-propylhexan-2-amine
SMILESCCCNC(Cc1cc(F)cc(F)c1)C(CCC)OC
InChIInChI=1S/C16H25F2NO/c1-4-6-16(20-3)15(19-7-5-2)10-12-8-13(17)11-14(18)9-12/h8-9,11,15-16,19H,4-7,10H2,1-3H3
InChIKeyKFZLANOHUBHPEJ-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 105406993
1-cyclopropyl-3-(3,5-difluorophenyl)-1-methoxy-N-propylpropan-2-amine
CID 105407026
[1-(3-bromo-5-fluorophenyl)-3-methoxyhexan-2-yl]hydrazine
CID 105271702
4-[3-methoxy-2-(propylamino)hexyl]pyridin-2-amine
CID 116719566
1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719557
1-(1-ethylimidazol-2-yl)-3-methoxy-N-propylhexan-2-amine
CID 116719464
3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylhexan-2-amine
CID 116719460
1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine
CID 116719357
1-(furan-3-yl)-3-methoxy-N-propylpentan-2-amine
CID 116715979
5-methoxy-1-phenyl-N-propyloctan-4-amine
CID 116719481
1-(3,5-difluorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 105407062
5-methoxy-N-propyloct-1-yn-4-amine
CID 116719359

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-methoxy-N-propylhexan-2-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-3-methoxy-N-propylhexan-2-amine (CID 105407006) is 1-(3,5-difluorophenyl)-3-methoxy-N-propylhexan-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-methoxy-N-propylhexan-2-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-methoxy-N-propylhexan-2-amine is CCCNC(Cc1cc(F)cc(F)c1)C(CCC)OC.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-methoxy-N-propylhexan-2-amine?
The InChIKey is KFZLANOHUBHPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO/c1-4-6-16(20-3)15(19-7-5-2)10-12-8-13(17)11-14(18)9-12/h8-9,11,15-16,19H,4-7,10H2,1-3H3.
What are the key properties of 1-(3,5-difluorophenyl)-3-methoxy-N-propylhexan-2-amine?
1-(3,5-difluorophenyl)-3-methoxy-N-propylhexan-2-amine has a molecular weight of 285.38 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-methoxy-N-propylhexan-2-amine is sourced from PubChem (CID 105407006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).