3-[(2-bromo-5-methoxyphenyl)methyl]heptan-3-amine

C15H24BrNO — CID 65330931

IUPAC3-[(2-bromo-5-methoxyphenyl)methyl]heptan-3-amine
SMILESCCCCC(N)(CC)Cc1cc(OC)ccc1Br
InChIInChI=1S/C15H24BrNO/c1-4-6-9-15(17,5-2)11-12-10-13(18-3)7-8-14(12)16/h7-8,10H,4-6,9,11,17H2,1-3H3
InChIKeyLAFZPHLKSZHFMT-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.30
Rot. Bonds7

About 3-[(2-bromo-5-methoxyphenyl)methyl]heptan-3-amine

3-[(2-bromo-5-methoxyphenyl)methyl]heptan-3-amine (PubChem CID 65330931) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 3-[(2-bromo-5-methoxyphenyl)methyl]heptan-3-amine.

Molecular Properties

Compound Name3-[(2-bromo-5-methoxyphenyl)methyl]heptan-3-amine
PubChem CID65330931
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name3-[(2-bromo-5-methoxyphenyl)methyl]heptan-3-amine
SMILESCCCCC(N)(CC)Cc1cc(OC)ccc1Br
InChIInChI=1S/C15H24BrNO/c1-4-6-9-15(17,5-2)11-12-10-13(18-3)7-8-14(12)16/h7-8,10H,4-6,9,11,17H2,1-3H3
InChIKeyLAFZPHLKSZHFMT-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-2-[2-(bromomethyl)-2-ethylhexyl]-4-methoxybenzene
CID 66048487
2-[(2-bromo-5-methoxyphenyl)methyl]-N,2-diethylhexan-1-amine
CID 65327025
2-[(2-bromo-5-methoxyphenyl)methyl]-2-ethylbutan-1-ol
CID 66060635
3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol
CID 65327602
2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutanoic acid
CID 65322994
2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol
CID 66057917
1-(2-bromo-5-methoxyphenyl)-2-(4-ethylphenyl)propan-2-amine
CID 65327325
2-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylbutan-1-amine
CID 65327261
1-(2-bromo-5-methoxyphenyl)-2-(4-fluorophenyl)propan-2-amine
CID 65327715
3-(2-bromo-5-methoxyphenyl)-2,2-dimethylpropanenitrile
CID 65379304
1-(2-bromo-5-methoxyphenyl)octan-4-one
CID 11255432
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-methoxyphenyl)methyl]heptan-3-amine?
The IUPAC name of 3-[(2-bromo-5-methoxyphenyl)methyl]heptan-3-amine (CID 65330931) is 3-[(2-bromo-5-methoxyphenyl)methyl]heptan-3-amine.
What is the SMILES notation for 3-[(2-bromo-5-methoxyphenyl)methyl]heptan-3-amine?
The canonical SMILES for 3-[(2-bromo-5-methoxyphenyl)methyl]heptan-3-amine is CCCCC(N)(CC)Cc1cc(OC)ccc1Br.
What is the InChIKey of 3-[(2-bromo-5-methoxyphenyl)methyl]heptan-3-amine?
The InChIKey is LAFZPHLKSZHFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-4-6-9-15(17,5-2)11-12-10-13(18-3)7-8-14(12)16/h7-8,10H,4-6,9,11,17H2,1-3H3.
What are the key properties of 3-[(2-bromo-5-methoxyphenyl)methyl]heptan-3-amine?
3-[(2-bromo-5-methoxyphenyl)methyl]heptan-3-amine has a molecular weight of 314.27 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-methoxyphenyl)methyl]heptan-3-amine is sourced from PubChem (CID 65330931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).