2-[(2-bromophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine

C16H26BrNO — CID 62725440

IUPAC2-[(2-bromophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(CC)(CNCCOC)Cc1ccccc1Br
InChIInChI=1S/C16H26BrNO/c1-4-16(5-2,13-18-10-11-19-3)12-14-8-6-7-9-15(14)17/h6-9,18H,4-5,10-13H2,1-3H3
InChIKeyUMILWMGUJWYXNW-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.03
Rot. Bonds9

About 2-[(2-bromophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine

2-[(2-bromophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine (PubChem CID 62725440) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine
PubChem CID62725440
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name2-[(2-bromophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(CC)(CNCCOC)Cc1ccccc1Br
InChIInChI=1S/C16H26BrNO/c1-4-16(5-2,13-18-10-11-19-3)12-14-8-6-7-9-15(14)17/h6-9,18H,4-5,10-13H2,1-3H3
InChIKeyUMILWMGUJWYXNW-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-(2-methoxyethyl)-2-[(2-methylphenyl)methyl]hexan-1-amine
CID 63508441
2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine
CID 106869532
3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 62603094
2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine
CID 55106604
2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 112644117
2-N-[(2-bromophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62570545
2-[(2-bromophenyl)methyl]-4-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 82926038
2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine
CID 104566572
1-bromo-2-(2-methoxyethyl)benzene
CID 5151997
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 62723751
3-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine
CID 62724558
2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 62718705

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine (CID 62725440) is 2-[(2-bromophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine is CCC(CC)(CNCCOC)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is UMILWMGUJWYXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-4-16(5-2,13-18-10-11-19-3)12-14-8-6-7-9-15(14)17/h6-9,18H,4-5,10-13H2,1-3H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine?
2-[(2-bromophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 328.29 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 62725440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).