1-(2-bromo-5-methoxyphenyl)-N-methylpentan-3-amine

C13H20BrNO — CID 65322937

IUPAC1-(2-bromo-5-methoxyphenyl)-N-methylpentan-3-amine
SMILESCCC(CCc1cc(OC)ccc1Br)NC
InChIInChI=1S/C13H20BrNO/c1-4-11(15-2)6-5-10-9-12(16-3)7-8-13(10)14/h7-9,11,15H,4-6H2,1-3H3
InChIKeyUTOJLFPHHKUMQP-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.39
Rot. Bonds6

About 1-(2-bromo-5-methoxyphenyl)-N-methylpentan-3-amine

1-(2-bromo-5-methoxyphenyl)-N-methylpentan-3-amine (PubChem CID 65322937) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-N-methylpentan-3-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-N-methylpentan-3-amine
PubChem CID65322937
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name1-(2-bromo-5-methoxyphenyl)-N-methylpentan-3-amine
SMILESCCC(CCc1cc(OC)ccc1Br)NC
InChIInChI=1S/C13H20BrNO/c1-4-11(15-2)6-5-10-9-12(16-3)7-8-13(10)14/h7-9,11,15H,4-6H2,1-3H3
InChIKeyUTOJLFPHHKUMQP-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-N,4-dimethylhexan-2-amine
CID 115862236
1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 65325611
1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-3-amine
CID 65322935
4-(2-bromo-5-methoxyphenyl)-1-methoxybutan-2-ol
CID 65326801
2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
4-(2-bromo-5-methoxyphenyl)-2-methylbutanoic acid
CID 81008924
3-[(2-bromo-5-methoxyphenyl)methylamino]pentanenitrile
CID 113442362
1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine
CID 115862124
1-bromo-2-(3-chloro-3-phenylpropyl)-4-methoxybenzene
CID 65326854
1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
CID 65325458
2-(2-bromo-5-methoxyphenyl)ethanamine;hydrochloride
CID 53493299

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-methylpentan-3-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-methylpentan-3-amine (CID 65322937) is 1-(2-bromo-5-methoxyphenyl)-N-methylpentan-3-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-N-methylpentan-3-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-N-methylpentan-3-amine is CCC(CCc1cc(OC)ccc1Br)NC.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-N-methylpentan-3-amine?
The InChIKey is UTOJLFPHHKUMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-4-11(15-2)6-5-10-9-12(16-3)7-8-13(10)14/h7-9,11,15H,4-6H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-N-methylpentan-3-amine?
1-(2-bromo-5-methoxyphenyl)-N-methylpentan-3-amine has a molecular weight of 286.21 g/mol, XLogP of 3.39, 6 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-methylpentan-3-amine is sourced from PubChem (CID 65322937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).