1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-propylpentan-2-amine

C15H22BrF2NO — CID 106268490

IUPAC1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
SMILESCCCNC(Cc1c(F)ccc(Br)c1F)C(CC)OC
InChIInChI=1S/C15H22BrF2NO/c1-4-8-19-13(14(5-2)20-3)9-10-12(17)7-6-11(16)15(10)18/h6-7,13-14,19H,4-5,8-9H2,1-3H3
InChIKeyDPXQEWLRYJDOLA-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.06
Rot. Bonds8

About 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-propylpentan-2-amine

1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-propylpentan-2-amine (PubChem CID 106268490) has the molecular formula C15H22BrF2NO and a molecular weight of 350.25 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
PubChem CID106268490
Molecular FormulaC15H22BrF2NO
Molecular Weight350.25 g/mol
Exact Mass349.09
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
SMILESCCCNC(Cc1c(F)ccc(Br)c1F)C(CC)OC
InChIInChI=1S/C15H22BrF2NO/c1-4-8-19-13(14(5-2)20-3)9-10-12(17)7-6-11(16)15(10)18/h6-7,13-14,19H,4-5,8-9H2,1-3H3
InChIKeyDPXQEWLRYJDOLA-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-propylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-1-methoxy-N-propylpropan-2-amine
CID 106268545
1-(3-bromo-2,6-difluorophenyl)-N-ethyl-3-methoxybutan-2-amine
CID 114166240
1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116715973
1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716158
1-(3-bromo-2,6-difluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 106274055
3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxy-N-methylpropan-2-amine
CID 106268006
1-(3-bromo-2,6-difluorophenyl)-3-methoxyhexan-2-amine
CID 106268510
1-(3-bromo-2,6-difluorophenyl)-3-propoxy-N-propylpropan-2-amine
CID 106267109
[3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 106271065
1-(3-bromo-2,6-difluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 106267363
1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 105406993
1-(3-bromo-2,6-difluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 106267485

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-propylpentan-2-amine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-propylpentan-2-amine (CID 106268490) is 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-propylpentan-2-amine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-propylpentan-2-amine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-propylpentan-2-amine is CCCNC(Cc1c(F)ccc(Br)c1F)C(CC)OC.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-propylpentan-2-amine?
The InChIKey is DPXQEWLRYJDOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrF2NO/c1-4-8-19-13(14(5-2)20-3)9-10-12(17)7-6-11(16)15(10)18/h6-7,13-14,19H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-propylpentan-2-amine?
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-propylpentan-2-amine has a molecular weight of 350.25 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-propylpentan-2-amine is sourced from PubChem (CID 106268490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).