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

C15H24BrNO2 — CID 65325866

IUPACN-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine
SMILESCCC(C)N(CCOC)Cc1cc(OC)ccc1Br
InChIInChI=1S/C15H24BrNO2/c1-5-12(2)17(8-9-18-3)11-13-10-14(19-4)6-7-15(13)16/h6-7,10,12H,5,8-9,11H2,1-4H3
InChIKeyHLMLWAVASSELHF-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.70
Rot. Bonds8

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

N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine (PubChem CID 65325866) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine
PubChem CID65325866
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine
SMILESCCC(C)N(CCOC)Cc1cc(OC)ccc1Br
InChIInChI=1S/C15H24BrNO2/c1-5-12(2)17(8-9-18-3)11-13-10-14(19-4)6-7-15(13)16/h6-7,10,12H,5,8-9,11H2,1-4H3
InChIKeyHLMLWAVASSELHF-UHFFFAOYSA-N
XLogP3.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-chloroethyl)-2-methoxyethanamine
CID 113468132
2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
CID 107740294
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine
CID 54942276
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-propoxyphenol
CID 82956879
N-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine
CID 65325974
methyl 3-[(2-bromo-5-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 115536450
3-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-2-amine
CID 62209123
3-[(2-bromo-5-methoxyphenyl)methyl-methylamino]butanenitrile
CID 65323331
N'-[(2-bromo-5-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65323346
3-[4-methoxy-2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 82938802
2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol
CID 65326713
1-(2-bromo-5-methoxyphenyl)-4-methoxy-3-methylbutan-2-ol
CID 116502554

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine (CID 65325866) is N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine is CCC(C)N(CCOC)Cc1cc(OC)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine?
The InChIKey is HLMLWAVASSELHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-5-12(2)17(8-9-18-3)11-13-10-14(19-4)6-7-15(13)16/h6-7,10,12H,5,8-9,11H2,1-4H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine?
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine has a molecular weight of 330.27 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine is sourced from PubChem (CID 65325866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).