2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine

C16H26BrNO3 — CID 104566805

IUPAC2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
SMILESCNCC(CCOCCOCCOC)c1ccccc1Br
InChIInChI=1S/C16H26BrNO3/c1-18-13-14(15-5-3-4-6-16(15)17)7-8-20-11-12-21-10-9-19-2/h3-6,14,18H,7-13H2,1-2H3
InChIKeyAPZYACRREDAPHA-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.82
Rot. Bonds12

About 2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine

2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine (PubChem CID 104566805) has the molecular formula C16H26BrNO3 and a molecular weight of 360.29 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
PubChem CID104566805
Molecular FormulaC16H26BrNO3
Molecular Weight360.29 g/mol
Exact Mass359.11
IUPAC Name2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
SMILESCNCC(CCOCCOCCOC)c1ccccc1Br
InChIInChI=1S/C16H26BrNO3/c1-18-13-14(15-5-3-4-6-16(15)17)7-8-20-11-12-21-10-9-19-2/h3-6,14,18H,7-13H2,1-2H3
InChIKeyAPZYACRREDAPHA-UHFFFAOYSA-N
XLogP2.82
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine
CID 103183720
2-(2-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine
CID 79436354
2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine
CID 79449527
2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine
CID 79449002
2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457201
2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 104565058
2-(2-bromophenyl)-N-tert-butyl-4-propoxybutan-1-amine
CID 106457208
2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine
CID 79436793
2-(2-bromophenyl)-N-methylundecan-1-amine
CID 79448779
2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649517
4-(2-methoxyethoxy)-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421909
5-(2-methoxyethoxy)-N-methyl-2-phenylpentan-1-amine
CID 103412550

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine (CID 104566805) is 2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine is CNCC(CCOCCOCCOC)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine?
The InChIKey is APZYACRREDAPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO3/c1-18-13-14(15-5-3-4-6-16(15)17)7-8-20-11-12-21-10-9-19-2/h3-6,14,18H,7-13H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine?
2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine has a molecular weight of 360.29 g/mol, XLogP of 2.82, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine is sourced from PubChem (CID 104566805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).