1-(3,4-difluorophenyl)-2-methoxy-N-propylpentan-1-amine

C15H23F2NO — CID 116719516

IUPAC1-(3,4-difluorophenyl)-2-methoxy-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(F)c(F)c1)C(CCC)OC
InChIInChI=1S/C15H23F2NO/c1-4-6-14(19-3)15(18-9-5-2)11-7-8-12(16)13(17)10-11/h7-8,10,14-15,18H,4-6,9H2,1-3H3
InChIKeyKRMZISMSYQOGET-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.82
Rot. Bonds8

About 1-(3,4-difluorophenyl)-2-methoxy-N-propylpentan-1-amine

1-(3,4-difluorophenyl)-2-methoxy-N-propylpentan-1-amine (PubChem CID 116719516) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-methoxy-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-methoxy-N-propylpentan-1-amine
PubChem CID116719516
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name1-(3,4-difluorophenyl)-2-methoxy-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(F)c(F)c1)C(CCC)OC
InChIInChI=1S/C15H23F2NO/c1-4-6-14(19-3)15(18-9-5-2)11-7-8-12(16)13(17)10-11/h7-8,10,14-15,18H,4-6,9H2,1-3H3
InChIKeyKRMZISMSYQOGET-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
CID 116718368
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719391
2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 116719339
2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine
CID 116719309
1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719557
1-(2,6-difluorophenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719530
1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719527
1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721756
2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 116717243
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpropan-1-amine
CID 79617446
2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine
CID 116718350
1-(3-bromo-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 79747198

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-methoxy-N-propylpentan-1-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-2-methoxy-N-propylpentan-1-amine (CID 116719516) is 1-(3,4-difluorophenyl)-2-methoxy-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-methoxy-N-propylpentan-1-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-methoxy-N-propylpentan-1-amine is CCCNC(c1ccc(F)c(F)c1)C(CCC)OC.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-methoxy-N-propylpentan-1-amine?
The InChIKey is KRMZISMSYQOGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-4-6-14(19-3)15(18-9-5-2)11-7-8-12(16)13(17)10-11/h7-8,10,14-15,18H,4-6,9H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-methoxy-N-propylpentan-1-amine?
1-(3,4-difluorophenyl)-2-methoxy-N-propylpentan-1-amine has a molecular weight of 271.35 g/mol, XLogP of 3.82, 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)-2-methoxy-N-propylpentan-1-amine is sourced from PubChem (CID 116719516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).