1-(2-bromo-5-methoxyphenyl)pentan-2-amine

C12H18BrNO — CID 65325502

IUPAC1-(2-bromo-5-methoxyphenyl)pentan-2-amine
SMILESCCCC(N)Cc1cc(OC)ccc1Br
InChIInChI=1S/C12H18BrNO/c1-3-4-10(14)7-9-8-11(15-2)5-6-12(9)13/h5-6,8,10H,3-4,7,14H2,1-2H3
InChIKeyFEUUHXJWYLFTAQ-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.13
Rot. Bonds5

About 1-(2-bromo-5-methoxyphenyl)pentan-2-amine

1-(2-bromo-5-methoxyphenyl)pentan-2-amine (PubChem CID 65325502) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)pentan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)pentan-2-amine
PubChem CID65325502
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name1-(2-bromo-5-methoxyphenyl)pentan-2-amine
SMILESCCCC(N)Cc1cc(OC)ccc1Br
InChIInChI=1S/C12H18BrNO/c1-3-4-10(14)7-9-8-11(15-2)5-6-12(9)13/h5-6,8,10H,3-4,7,14H2,1-2H3
InChIKeyFEUUHXJWYLFTAQ-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethoxyphenyl)pentan-2-amine
CID 82255255
1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine
CID 115862330
1-(2-bromo-5-methoxyphenyl)-3-methylhexan-2-ol
CID 65327514
1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
CID 65325458
1-(2-bromo-5-fluorophenyl)pentan-2-amine
CID 62601078
3-(2-bromo-5-methoxyphenyl)-1,1-diethoxypropan-2-amine
CID 79495380
1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine
CID 115862124
4-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-amine
CID 81013376
1-(2-bromo-5-methoxyphenyl)-3-(4-bromophenyl)sulfanylpropan-2-amine
CID 66054706
1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine
CID 79412793
2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine
CID 115862312
1-(2-bromo-5-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
CID 103168715

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)pentan-2-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)pentan-2-amine (CID 65325502) is 1-(2-bromo-5-methoxyphenyl)pentan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)pentan-2-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)pentan-2-amine is CCCC(N)Cc1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)pentan-2-amine?
The InChIKey is FEUUHXJWYLFTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-3-4-10(14)7-9-8-11(15-2)5-6-12(9)13/h5-6,8,10H,3-4,7,14H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)pentan-2-amine?
1-(2-bromo-5-methoxyphenyl)pentan-2-amine has a molecular weight of 272.19 g/mol, XLogP of 3.13, 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)pentan-2-amine is sourced from PubChem (CID 65325502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).