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

C15H24BrNO — CID 115862236

IUPAC1-(2-bromo-5-methoxyphenyl)-N,4-dimethylhexan-2-amine
SMILESCCC(C)CC(Cc1cc(OC)ccc1Br)NC
InChIInChI=1S/C15H24BrNO/c1-5-11(2)8-13(17-3)9-12-10-14(18-4)6-7-15(12)16/h6-7,10-11,13,17H,5,8-9H2,1-4H3
InChIKeyUIOPNVHZQTWCPS-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.02
Rot. Bonds7

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

1-(2-bromo-5-methoxyphenyl)-N,4-dimethylhexan-2-amine (PubChem CID 115862236) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-N,4-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-N,4-dimethylhexan-2-amine
PubChem CID115862236
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name1-(2-bromo-5-methoxyphenyl)-N,4-dimethylhexan-2-amine
SMILESCCC(C)CC(Cc1cc(OC)ccc1Br)NC
InChIInChI=1S/C15H24BrNO/c1-5-11(2)8-13(17-3)9-12-10-14(18-4)6-7-15(12)16/h6-7,10-11,13,17H,5,8-9H2,1-4H3
InChIKeyUIOPNVHZQTWCPS-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-fluorophenyl)-N,4-dimethylhexan-2-amine
CID 115843650
1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 65325611
1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine
CID 79412793
1-(2-bromo-5-methoxyphenyl)-N-methylpentan-3-amine
CID 65322937
1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine
CID 115862124
1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
CID 65325458
1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
CID 65325217
1-bromo-2-(4-chloro-2-methylpentyl)-4-methoxybenzene
CID 65326063
2-[(2-bromo-5-methoxyphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 65326628
1-(2-bromo-5-methoxyphenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105150997
4-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-amine
CID 81013376
1-(2-bromo-5-methoxyphenyl)pentan-2-amine
CID 65325502

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N,4-dimethylhexan-2-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N,4-dimethylhexan-2-amine (CID 115862236) is 1-(2-bromo-5-methoxyphenyl)-N,4-dimethylhexan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-N,4-dimethylhexan-2-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-N,4-dimethylhexan-2-amine is CCC(C)CC(Cc1cc(OC)ccc1Br)NC.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-N,4-dimethylhexan-2-amine?
The InChIKey is UIOPNVHZQTWCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-5-11(2)8-13(17-3)9-12-10-14(18-4)6-7-15(12)16/h6-7,10-11,13,17H,5,8-9H2,1-4H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-N,4-dimethylhexan-2-amine?
1-(2-bromo-5-methoxyphenyl)-N,4-dimethylhexan-2-amine has a molecular weight of 314.27 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-N,4-dimethylhexan-2-amine is sourced from PubChem (CID 115862236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).