1-(2-bromo-5-methoxyphenyl)-4-methylpentan-1-amine

C13H20BrNO — CID 105126878

IUPAC1-(2-bromo-5-methoxyphenyl)-4-methylpentan-1-amine
SMILESCOc1ccc(Br)c(C(N)CCC(C)C)c1
InChIInChI=1S/C13H20BrNO/c1-9(2)4-7-13(15)11-8-10(16-3)5-6-12(11)14/h5-6,8-9,13H,4,7,15H2,1-3H3
InChIKeyWDCQLIAZNPOZPI-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.89
Rot. Bonds5

About 1-(2-bromo-5-methoxyphenyl)-4-methylpentan-1-amine

1-(2-bromo-5-methoxyphenyl)-4-methylpentan-1-amine (PubChem CID 105126878) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-4-methylpentan-1-amine
PubChem CID105126878
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name1-(2-bromo-5-methoxyphenyl)-4-methylpentan-1-amine
SMILESCOc1ccc(Br)c(C(N)CCC(C)C)c1
InChIInChI=1S/C13H20BrNO/c1-9(2)4-7-13(15)11-8-10(16-3)5-6-12(11)14/h5-6,8-9,13H,4,7,15H2,1-3H3
InChIKeyWDCQLIAZNPOZPI-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171204828
(1S)-1-(2-bromo-5-methoxyphenyl)butane-1,4-diamine
CID 171224402
(1S)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine
CID 130673057
(1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171224414
(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224399
1-(2-bromo-5-methoxyphenyl)-4,4,4-trifluorobutan-1-amine
CID 105156340
(1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171220642
1-(2-bromo-5-methoxyphenyl)hex-4-yn-1-amine
CID 105181442
(1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171200097
1-(2-bromo-5-methoxyphenyl)but-3-en-1-amine
CID 112693724
(1S)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171219626
1-(2-bromo-5-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 105098960

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-4-methylpentan-1-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-4-methylpentan-1-amine (CID 105126878) is 1-(2-bromo-5-methoxyphenyl)-4-methylpentan-1-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-4-methylpentan-1-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-4-methylpentan-1-amine is COc1ccc(Br)c(C(N)CCC(C)C)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-4-methylpentan-1-amine?
The InChIKey is WDCQLIAZNPOZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-9(2)4-7-13(15)11-8-10(16-3)5-6-12(11)14/h5-6,8-9,13H,4,7,15H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-4-methylpentan-1-amine?
1-(2-bromo-5-methoxyphenyl)-4-methylpentan-1-amine has a molecular weight of 286.21 g/mol, XLogP of 3.89, 5 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)-4-methylpentan-1-amine is sourced from PubChem (CID 105126878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).