2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine

C12H18BrNO — CID 62505917

IUPAC2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine
SMILESCCC(CN)Cc1cc(Br)ccc1OC
InChIInChI=1S/C12H18BrNO/c1-3-9(8-14)6-10-7-11(13)4-5-12(10)15-2/h4-5,7,9H,3,6,8,14H2,1-2H3
InChIKeyRIHPAWOFNKGLKK-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.99
Rot. Bonds5

About 2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine

2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine (PubChem CID 62505917) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine
PubChem CID62505917
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine
SMILESCCC(CN)Cc1cc(Br)ccc1OC
InChIInChI=1S/C12H18BrNO/c1-3-9(8-14)6-10-7-11(13)4-5-12(10)15-2/h4-5,7,9H,3,6,8,14H2,1-2H3
InChIKeyRIHPAWOFNKGLKK-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methyl]pentan-1-amine
CID 62504322
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
4-(5-bromo-2-methoxyphenyl)-3-fluoro-2-propan-2-ylbutan-1-amine
CID 107443576
4-(5-bromo-2-methoxyphenyl)-3-methylbutan-1-amine
CID 81013850
3-(5-bromo-2-methoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
CID 112538811
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-amine
CID 116930931
[1-(5-bromo-2-methoxyphenyl)-3-methoxypentan-2-yl]hydrazine
CID 105270725
7-amino-1-(5-bromo-2-methoxyphenyl)-5-ethylheptan-2-one
CID 116578332
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine
CID 63496704
4-bromo-2-(3-chloro-2-methylpropyl)-1-methoxybenzene
CID 66033395
1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63892579

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine (CID 62505917) is 2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine is CCC(CN)Cc1cc(Br)ccc1OC.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine?
The InChIKey is RIHPAWOFNKGLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-3-9(8-14)6-10-7-11(13)4-5-12(10)15-2/h4-5,7,9H,3,6,8,14H2,1-2H3.
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine?
2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine is sourced from PubChem (CID 62505917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).