2-[(2-bromo-5-methoxyphenyl)methyl]-N,2-diethylhexan-1-amine

C18H30BrNO — CID 65327025

IUPAC2-[(2-bromo-5-methoxyphenyl)methyl]-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)(CNCC)Cc1cc(OC)ccc1Br
InChIInChI=1S/C18H30BrNO/c1-5-8-11-18(6-2,14-20-7-3)13-15-12-16(21-4)9-10-17(15)19/h9-10,12,20H,5-8,11,13-14H2,1-4H3
InChIKeyUSLRJGFYBMFWLC-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.20
Rot. Bonds10

About 2-[(2-bromo-5-methoxyphenyl)methyl]-N,2-diethylhexan-1-amine

2-[(2-bromo-5-methoxyphenyl)methyl]-N,2-diethylhexan-1-amine (PubChem CID 65327025) has the molecular formula C18H30BrNO and a molecular weight of 356.35 g/mol. Its IUPAC name is 2-[(2-bromo-5-methoxyphenyl)methyl]-N,2-diethylhexan-1-amine.

Molecular Properties

Compound Name2-[(2-bromo-5-methoxyphenyl)methyl]-N,2-diethylhexan-1-amine
PubChem CID65327025
Molecular FormulaC18H30BrNO
Molecular Weight356.35 g/mol
Exact Mass355.15
IUPAC Name2-[(2-bromo-5-methoxyphenyl)methyl]-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)(CNCC)Cc1cc(OC)ccc1Br
InChIInChI=1S/C18H30BrNO/c1-5-8-11-18(6-2,14-20-7-3)13-15-12-16(21-4)9-10-17(15)19/h9-10,12,20H,5-8,11,13-14H2,1-4H3
InChIKeyUSLRJGFYBMFWLC-UHFFFAOYSA-N
XLogP5.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.20
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
3-[(2-bromo-5-methoxyphenyl)methyl]heptan-3-amine
CID 65330931
2-[(2-bromo-5-methoxyphenyl)methyl]-2-ethylbutan-1-ol
CID 66060635
3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine
CID 83149504
3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol
CID 65327602
N,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine
CID 105374931
2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
CID 102619893
2-[(3-bromo-4-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine
CID 63508796
N,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
CID 55195481
2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol
CID 66057917
1-(2-bromo-5-methoxyphenyl)-3-(ethylamino)propan-2-one
CID 116562652
2-[(2-bromo-5-methoxyphenyl)methyl]-N,2-dimethylbut-3-en-1-amine
CID 102640559

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl]-N,2-diethylhexan-1-amine?
The IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl]-N,2-diethylhexan-1-amine (CID 65327025) is 2-[(2-bromo-5-methoxyphenyl)methyl]-N,2-diethylhexan-1-amine.
What is the SMILES notation for 2-[(2-bromo-5-methoxyphenyl)methyl]-N,2-diethylhexan-1-amine?
The canonical SMILES for 2-[(2-bromo-5-methoxyphenyl)methyl]-N,2-diethylhexan-1-amine is CCCCC(CC)(CNCC)Cc1cc(OC)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-methoxyphenyl)methyl]-N,2-diethylhexan-1-amine?
The InChIKey is USLRJGFYBMFWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrNO/c1-5-8-11-18(6-2,14-20-7-3)13-15-12-16(21-4)9-10-17(15)19/h9-10,12,20H,5-8,11,13-14H2,1-4H3.
What are the key properties of 2-[(2-bromo-5-methoxyphenyl)methyl]-N,2-diethylhexan-1-amine?
2-[(2-bromo-5-methoxyphenyl)methyl]-N,2-diethylhexan-1-amine has a molecular weight of 356.35 g/mol, XLogP of 5.20, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-methoxyphenyl)methyl]-N,2-diethylhexan-1-amine is sourced from PubChem (CID 65327025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).