5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentan-1-amine

C14H22BrNO2 — CID 65301088

IUPAC5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentan-1-amine
SMILESCOc1cc(Br)c(CCC(C)CCN)cc1OC
InChIInChI=1S/C14H22BrNO2/c1-10(6-7-16)4-5-11-8-13(17-2)14(18-3)9-12(11)15/h8-10H,4-7,16H2,1-3H3
InChIKeyPDNKISYVVABYNC-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.38
Rot. Bonds7

About 5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentan-1-amine

5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentan-1-amine (PubChem CID 65301088) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentan-1-amine
PubChem CID65301088
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentan-1-amine
SMILESCOc1cc(Br)c(CCC(C)CCN)cc1OC
InChIInChI=1S/C14H22BrNO2/c1-10(6-7-16)4-5-11-8-13(17-2)14(18-3)9-12(11)15/h8-10H,4-7,16H2,1-3H3
InChIKeyPDNKISYVVABYNC-UHFFFAOYSA-N
XLogP3.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine
CID 170868746
(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine
CID 16637954
1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene
CID 138723532
1-bromo-2-(2-iodoethyl)-5-methoxy-4-propan-2-yloxybenzene
CID 16638804
5-(5-bromo-2-methoxy-3,6-dimethylphenyl)-3-methylpentan-1-amine
CID 113370313
4-(5-bromo-2-methoxyphenyl)-3-methylbutan-1-amine
CID 81013850
3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine
CID 117499889
2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)-N-methylethanamine
CID 117486828
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-methylbutane-1,4-diamine
CID 115202575
N'-[(2-bromo-4,5-dimethoxyphenyl)methyl]propane-1,3-diamine
CID 60888177
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methylbutan-1-amine
CID 43220432
dimethyl 2-[2-(2-bromo-4-methoxy-5-methylphenyl)ethyl]propanedioate
CID 58783424

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentan-1-amine?
The IUPAC name of 5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentan-1-amine (CID 65301088) is 5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentan-1-amine.
What is the SMILES notation for 5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentan-1-amine?
The canonical SMILES for 5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentan-1-amine is COc1cc(Br)c(CCC(C)CCN)cc1OC.
What is the InChIKey of 5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentan-1-amine?
The InChIKey is PDNKISYVVABYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-10(6-7-16)4-5-11-8-13(17-2)14(18-3)9-12(11)15/h8-10H,4-7,16H2,1-3H3.
What are the key properties of 5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentan-1-amine?
5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentan-1-amine has a molecular weight of 316.24 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentan-1-amine is sourced from PubChem (CID 65301088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).