2-[(3-bromo-4-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine

C16H26BrNO — CID 63508796

IUPAC2-[(3-bromo-4-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine
SMILESCCNCC(CC)(CC)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C16H26BrNO/c1-5-16(6-2,12-18-7-3)11-13-8-9-15(19-4)14(17)10-13/h8-10,18H,5-7,11-12H2,1-4H3
InChIKeyDABYDTLSHDDDTH-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.42
Rot. Bonds8

About 2-[(3-bromo-4-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine

2-[(3-bromo-4-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine (PubChem CID 63508796) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine.

Molecular Properties

Compound Name2-[(3-bromo-4-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine
PubChem CID63508796
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name2-[(3-bromo-4-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine
SMILESCCNCC(CC)(CC)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C16H26BrNO/c1-5-16(6-2,12-18-7-3)11-13-8-9-15(19-4)14(17)10-13/h8-10,18H,5-7,11-12H2,1-4H3
InChIKeyDABYDTLSHDDDTH-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine
CID 63507590
N'-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 113410172
2-[(3-bromo-4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 62725314
1-(3-bromo-4-methoxyphenyl)-3-ethoxy-2-methylpropan-2-amine
CID 113493311
1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine
CID 115817955
1-(3-bromo-4-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261861
4-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]aniline
CID 115212471
N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine
CID 60688736
2-bromo-4-[2-(bromomethyl)-2-phenylbutyl]-1-methoxybenzene
CID 66049589
2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine
CID 82111063
2-[(2-bromo-5-methoxyphenyl)methyl]-N,2-diethylhexan-1-amine
CID 65327025
2-[(5-bromo-3-pyridinyl)methyl]-N,2-diethylbutan-1-amine
CID 113455824

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine?
The IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine (CID 63508796) is 2-[(3-bromo-4-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine.
What is the SMILES notation for 2-[(3-bromo-4-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine?
The canonical SMILES for 2-[(3-bromo-4-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine is CCNCC(CC)(CC)Cc1ccc(OC)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine?
The InChIKey is DABYDTLSHDDDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-5-16(6-2,12-18-7-3)11-13-8-9-15(19-4)14(17)10-13/h8-10,18H,5-7,11-12H2,1-4H3.
What are the key properties of 2-[(3-bromo-4-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine?
2-[(3-bromo-4-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine has a molecular weight of 328.29 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine is sourced from PubChem (CID 63508796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).