4-(4-bromophenoxy)-2,2-diethylbutan-1-amine

C14H22BrNO — CID 55106538

IUPAC4-(4-bromophenoxy)-2,2-diethylbutan-1-amine
SMILESCCC(CC)(CN)CCOc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-3-14(4-2,11-16)9-10-17-13-7-5-12(15)6-8-13/h5-8H,3-4,9-11,16H2,1-2H3
InChIKeyMNUDDBDAJKTAAF-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.98
Rot. Bonds7

About 4-(4-bromophenoxy)-2,2-diethylbutan-1-amine

4-(4-bromophenoxy)-2,2-diethylbutan-1-amine (PubChem CID 55106538) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-2,2-diethylbutan-1-amine.

Molecular Properties

Compound Name4-(4-bromophenoxy)-2,2-diethylbutan-1-amine
PubChem CID55106538
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name4-(4-bromophenoxy)-2,2-diethylbutan-1-amine
SMILESCCC(CC)(CN)CCOc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-3-14(4-2,11-16)9-10-17-13-7-5-12(15)6-8-13/h5-8H,3-4,9-11,16H2,1-2H3
InChIKeyMNUDDBDAJKTAAF-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-bromophenoxy)-2,2-diethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-4-(4-bromophenoxy)-2-ethylbutan-1-ol
CID 106508332
4-(4-bromophenoxy)-N-tert-butyl-2,2-diethylbutan-1-amine
CID 63507256
2,2-diethyl-4-naphthalen-2-yloxybutan-1-amine
CID 82138622
5-(4-chlorophenoxy)-2,2-diethylpentan-1-amine
CID 82138894
2-[2-(4-bromophenoxy)ethyl]-2-(2-methylpropyl)propane-1,3-diol
CID 79450187
1-bromo-4-(3,3,3-trifluoropropoxy)benzene
CID 22913802
1-bromo-4-[2-(bromomethyl)-2-ethylbutoxy]benzene
CID 64998409
5-(3,4-dimethylphenoxy)-2,2-diethylpentan-1-amine
CID 82138572
4-(4-bromophenoxy)-N,2-diethyl-2-methylbutan-1-amine
CID 62726090
N-[2-(4-bromophenoxy)ethyl]-3-methylpentan-3-amine
CID 106328670
4-ethoxy-2,2-diethylbutan-1-amine
CID 62725698
1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-2,2-diethylbutan-1-amine?
The IUPAC name of 4-(4-bromophenoxy)-2,2-diethylbutan-1-amine (CID 55106538) is 4-(4-bromophenoxy)-2,2-diethylbutan-1-amine.
What is the SMILES notation for 4-(4-bromophenoxy)-2,2-diethylbutan-1-amine?
The canonical SMILES for 4-(4-bromophenoxy)-2,2-diethylbutan-1-amine is CCC(CC)(CN)CCOc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenoxy)-2,2-diethylbutan-1-amine?
The InChIKey is MNUDDBDAJKTAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-3-14(4-2,11-16)9-10-17-13-7-5-12(15)6-8-13/h5-8H,3-4,9-11,16H2,1-2H3.
What are the key properties of 4-(4-bromophenoxy)-2,2-diethylbutan-1-amine?
4-(4-bromophenoxy)-2,2-diethylbutan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-2,2-diethylbutan-1-amine is sourced from PubChem (CID 55106538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).