1-(4-bromo-2-methoxyphenyl)-5,5-dimethylhexan-1-amine

C15H24BrNO — CID 114210883

IUPAC1-(4-bromo-2-methoxyphenyl)-5,5-dimethylhexan-1-amine
SMILESCOc1cc(Br)ccc1C(N)CCCC(C)(C)C
InChIInChI=1S/C15H24BrNO/c1-15(2,3)9-5-6-13(17)12-8-7-11(16)10-14(12)18-4/h7-8,10,13H,5-6,9,17H2,1-4H3
InChIKeyXYWOAPICVHFBGO-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.67
Rot. Bonds5

About 1-(4-bromo-2-methoxyphenyl)-5,5-dimethylhexan-1-amine

1-(4-bromo-2-methoxyphenyl)-5,5-dimethylhexan-1-amine (PubChem CID 114210883) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-5,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-5,5-dimethylhexan-1-amine
PubChem CID114210883
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name1-(4-bromo-2-methoxyphenyl)-5,5-dimethylhexan-1-amine
SMILESCOc1cc(Br)ccc1C(N)CCCC(C)(C)C
InChIInChI=1S/C15H24BrNO/c1-15(2,3)9-5-6-13(17)12-8-7-11(16)10-14(12)18-4/h7-8,10,13H,5-6,9,17H2,1-4H3
InChIKeyXYWOAPICVHFBGO-UHFFFAOYSA-N
XLogP4.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-methoxyphenyl)-5,5-dimethylhexan-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

(4R)-4-amino-4-(4-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride
CID 171204824
(1S)-1-(4-bromo-2-methoxyphenyl)-3-fluoropropan-1-amine
CID 171224371
(1R)-1-(4-bromo-2-methoxyphenyl)-3-fluoropropan-1-amine
CID 171204798
(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515457
(2S)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515456
(1S)-1-(4-bromo-2-methoxyphenyl)-2-fluoroethanamine
CID 131036792
(1R)-1-(4-bromo-2-methoxyphenyl)pent-4-en-1-amine
CID 171204809
1-(5-bromo-2-iodophenyl)-5,5-dimethylhexan-1-amine
CID 114211015
1-(4-bromo-2-methoxyphenyl)-3-phenylpropan-1-amine
CID 115794460
(1R)-1-(4-bromo-2-methoxyphenyl)-3-methylbutan-1-amine
CID 171204790
1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 112705506
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-5,5-dimethylhexan-1-amine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-5,5-dimethylhexan-1-amine (CID 114210883) is 1-(4-bromo-2-methoxyphenyl)-5,5-dimethylhexan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-5,5-dimethylhexan-1-amine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-5,5-dimethylhexan-1-amine is COc1cc(Br)ccc1C(N)CCCC(C)(C)C.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-5,5-dimethylhexan-1-amine?
The InChIKey is XYWOAPICVHFBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-15(2,3)9-5-6-13(17)12-8-7-11(16)10-14(12)18-4/h7-8,10,13H,5-6,9,17H2,1-4H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-5,5-dimethylhexan-1-amine?
1-(4-bromo-2-methoxyphenyl)-5,5-dimethylhexan-1-amine has a molecular weight of 314.27 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-5,5-dimethylhexan-1-amine is sourced from PubChem (CID 114210883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).