1-(3-bromo-2-fluorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine

C14H21BrFNO — CID 106645853

IUPAC1-(3-bromo-2-fluorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1cccc(Br)c1F)C(C)(C)OC
InChIInChI=1S/C14H21BrFNO/c1-5-9-17-13(14(2,3)18-4)10-7-6-8-11(15)12(10)16/h6-8,13,17H,5,9H2,1-4H3
InChIKeyGXNWSPFCGZSJHG-UHFFFAOYSA-N
MW318.23 g/mol
LogP4.05
Rot. Bonds6

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

1-(3-bromo-2-fluorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine (PubChem CID 106645853) has the molecular formula C14H21BrFNO and a molecular weight of 318.23 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
PubChem CID106645853
Molecular FormulaC14H21BrFNO
Molecular Weight318.23 g/mol
Exact Mass317.08
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1cccc(Br)c1F)C(C)(C)OC
InChIInChI=1S/C14H21BrFNO/c1-5-9-17-13(14(2,3)18-4)10-7-6-8-11(15)12(10)16/h6-8,13,17H,5,9H2,1-4H3
InChIKeyGXNWSPFCGZSJHG-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-2-fluorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-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

1-(3-bromo-2-fluorophenyl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine
CID 106646130
1-(2-chlorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
CID 79196771
N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 106645250
N-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 106645887
N-[(3-bromo-2-fluorophenyl)-(2-bromophenyl)methyl]propan-1-amine
CID 106645447
1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine
CID 106645856
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine
CID 106646205
N-[(3-bromo-2-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 106645666
N-[(3-bromo-2-fluorophenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 106648080
N-[(3-bromo-2-fluorophenyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
CID 107977964
N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]propan-1-amine
CID 66205176
1-(3-bromo-2-fluorophenyl)-2-methoxy-2-methylbutan-1-amine
CID 106646137

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine (CID 106645853) is 1-(3-bromo-2-fluorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine is CCCNC(c1cccc(Br)c1F)C(C)(C)OC.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine?
The InChIKey is GXNWSPFCGZSJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFNO/c1-5-9-17-13(14(2,3)18-4)10-7-6-8-11(15)12(10)16/h6-8,13,17H,5,9H2,1-4H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine?
1-(3-bromo-2-fluorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine has a molecular weight of 318.23 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 106645853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).