4-(4-bromophenoxy)-N-tert-butyl-2,2-diethylbutan-1-amine

C18H30BrNO — CID 63507256

IUPAC4-(4-bromophenoxy)-N-tert-butyl-2,2-diethylbutan-1-amine
SMILESCCC(CC)(CCOc1ccc(Br)cc1)CNC(C)(C)C
InChIInChI=1S/C18H30BrNO/c1-6-18(7-2,14-20-17(3,4)5)12-13-21-16-10-8-15(19)9-11-16/h8-11,20H,6-7,12-14H2,1-5H3
InChIKeyHGVPPDQJHMMJGH-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.41
Rot. Bonds8

About 4-(4-bromophenoxy)-N-tert-butyl-2,2-diethylbutan-1-amine

4-(4-bromophenoxy)-N-tert-butyl-2,2-diethylbutan-1-amine (PubChem CID 63507256) has the molecular formula C18H30BrNO and a molecular weight of 356.35 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-N-tert-butyl-2,2-diethylbutan-1-amine.

Molecular Properties

Compound Name4-(4-bromophenoxy)-N-tert-butyl-2,2-diethylbutan-1-amine
PubChem CID63507256
Molecular FormulaC18H30BrNO
Molecular Weight356.35 g/mol
Exact Mass355.15
IUPAC Name4-(4-bromophenoxy)-N-tert-butyl-2,2-diethylbutan-1-amine
SMILESCCC(CC)(CCOc1ccc(Br)cc1)CNC(C)(C)C
InChIInChI=1S/C18H30BrNO/c1-6-18(7-2,14-20-17(3,4)5)12-13-21-16-10-8-15(19)9-11-16/h8-11,20H,6-7,12-14H2,1-5H3
InChIKeyHGVPPDQJHMMJGH-UHFFFAOYSA-N
XLogP5.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-bromophenoxy)-N-tert-butyl-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

4-(4-bromophenoxy)-2,2-diethylbutan-1-amine
CID 55106538
4-(4-bromophenoxy)-N,2-diethyl-2-methylbutan-1-amine
CID 62726090
2-(aminomethyl)-4-(4-bromophenoxy)-2-ethylbutan-1-ol
CID 106508332
N-[2-(4-bromophenoxy)ethyl]-3-methylpentan-3-amine
CID 106328670
N-[[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63507679
2-[2-(4-bromophenoxy)ethyl]-N-tert-butyl-3,3-dimethylbutan-1-amine
CID 83141502
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-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963
1-bromo-4-[2-(bromomethyl)-2-ethylbutoxy]benzene
CID 64998409
N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62572745
4-(4-bromophenoxy)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 83150672

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-N-tert-butyl-2,2-diethylbutan-1-amine?
The IUPAC name of 4-(4-bromophenoxy)-N-tert-butyl-2,2-diethylbutan-1-amine (CID 63507256) is 4-(4-bromophenoxy)-N-tert-butyl-2,2-diethylbutan-1-amine.
What is the SMILES notation for 4-(4-bromophenoxy)-N-tert-butyl-2,2-diethylbutan-1-amine?
The canonical SMILES for 4-(4-bromophenoxy)-N-tert-butyl-2,2-diethylbutan-1-amine is CCC(CC)(CCOc1ccc(Br)cc1)CNC(C)(C)C.
What is the InChIKey of 4-(4-bromophenoxy)-N-tert-butyl-2,2-diethylbutan-1-amine?
The InChIKey is HGVPPDQJHMMJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrNO/c1-6-18(7-2,14-20-17(3,4)5)12-13-21-16-10-8-15(19)9-11-16/h8-11,20H,6-7,12-14H2,1-5H3.
What are the key properties of 4-(4-bromophenoxy)-N-tert-butyl-2,2-diethylbutan-1-amine?
4-(4-bromophenoxy)-N-tert-butyl-2,2-diethylbutan-1-amine has a molecular weight of 356.35 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-N-tert-butyl-2,2-diethylbutan-1-amine is sourced from PubChem (CID 63507256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).