2-(2-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine

C17H28BrNO2 — CID 79436354

IUPAC2-(2-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine
SMILESCOCCOCCC(CNC(C)(C)C)c1ccccc1Br
InChIInChI=1S/C17H28BrNO2/c1-17(2,3)19-13-14(9-10-21-12-11-20-4)15-7-5-6-8-16(15)18/h5-8,14,19H,9-13H2,1-4H3
InChIKeyKPZJYJGJJTUWGD-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.97
Rot. Bonds9

About 2-(2-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine

2-(2-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine (PubChem CID 79436354) has the molecular formula C17H28BrNO2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine
PubChem CID79436354
Molecular FormulaC17H28BrNO2
Molecular Weight358.32 g/mol
Exact Mass357.13
IUPAC Name2-(2-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine
SMILESCOCCOCCC(CNC(C)(C)C)c1ccccc1Br
InChIInChI=1S/C17H28BrNO2/c1-17(2,3)19-13-14(9-10-21-12-11-20-4)15-7-5-6-8-16(15)18/h5-8,14,19H,9-13H2,1-4H3
InChIKeyKPZJYJGJJTUWGD-UHFFFAOYSA-N
XLogP3.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromophenyl)-N-tert-butyl-4-propoxybutan-1-amine
CID 106457208
2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
CID 104566805
2-(4-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine
CID 79431613
2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine
CID 103183720
2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457201
2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 104565058
N-[2-(2-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62108632
2-(4-bromophenyl)-N-tert-butyl-4-ethoxybutan-1-amine
CID 79438359
N-[2-(2-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine
CID 79448849
2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine
CID 79436793
2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649517
4-(2-methoxyethoxy)-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421909

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine (CID 79436354) is 2-(2-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine is COCCOCCC(CNC(C)(C)C)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine?
The InChIKey is KPZJYJGJJTUWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO2/c1-17(2,3)19-13-14(9-10-21-12-11-20-4)15-7-5-6-8-16(15)18/h5-8,14,19H,9-13H2,1-4H3.
What are the key properties of 2-(2-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine?
2-(2-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine has a molecular weight of 358.32 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine is sourced from PubChem (CID 79436354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).