1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine

C15H23BrFNO — CID 116715973

IUPAC1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine
SMILESCCCNC(Cc1cccc(F)c1Br)C(CC)OC
InChIInChI=1S/C15H23BrFNO/c1-4-9-18-13(14(5-2)19-3)10-11-7-6-8-12(17)15(11)16/h6-8,13-14,18H,4-5,9-10H2,1-3H3
InChIKeyALKPLRMGHIBQCR-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.92
Rot. Bonds8

About 1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine

1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine (PubChem CID 116715973) has the molecular formula C15H23BrFNO and a molecular weight of 332.26 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine
PubChem CID116715973
Molecular FormulaC15H23BrFNO
Molecular Weight332.26 g/mol
Exact Mass331.09
IUPAC Name1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine
SMILESCCCNC(Cc1cccc(F)c1Br)C(CC)OC
InChIInChI=1S/C15H23BrFNO/c1-4-9-18-13(14(5-2)19-3)10-11-7-6-8-12(17)15(11)16/h6-8,13-14,18H,4-5,9-10H2,1-3H3
InChIKeyALKPLRMGHIBQCR-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716158
1-(2-bromo-3-fluorophenyl)-N,3-dipropylhexan-2-amine
CID 105020425
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 106268490
1-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116715984
1-(2-bromo-3-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720241
1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716006
1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105172212
1-(2-bromo-3-fluorophenyl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105172057
1-(2-bromo-3-fluorophenyl)-4-propoxy-N-propylbutan-2-amine
CID 105172109
1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 105406993
1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718406
2-bromo-1-fluoro-3-(2-methylbutyl)benzene
CID 131992964

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine (CID 116715973) is 1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine is CCCNC(Cc1cccc(F)c1Br)C(CC)OC.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine?
The InChIKey is ALKPLRMGHIBQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFNO/c1-4-9-18-13(14(5-2)19-3)10-11-7-6-8-12(17)15(11)16/h6-8,13-14,18H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine?
1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine has a molecular weight of 332.26 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine is sourced from PubChem (CID 116715973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).