4-(4-bromophenoxy)-N,2-diethyl-2-methylbutan-1-amine

C15H24BrNO — CID 62726090

IUPAC4-(4-bromophenoxy)-N,2-diethyl-2-methylbutan-1-amine
SMILESCCNCC(C)(CC)CCOc1ccc(Br)cc1
InChIInChI=1S/C15H24BrNO/c1-4-15(3,12-17-5-2)10-11-18-14-8-6-13(16)7-9-14/h6-9,17H,4-5,10-12H2,1-3H3
InChIKeyZDCOKGZIXSEGSW-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.24
Rot. Bonds8

About 4-(4-bromophenoxy)-N,2-diethyl-2-methylbutan-1-amine

4-(4-bromophenoxy)-N,2-diethyl-2-methylbutan-1-amine (PubChem CID 62726090) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-N,2-diethyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-(4-bromophenoxy)-N,2-diethyl-2-methylbutan-1-amine
PubChem CID62726090
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name4-(4-bromophenoxy)-N,2-diethyl-2-methylbutan-1-amine
SMILESCCNCC(C)(CC)CCOc1ccc(Br)cc1
InChIInChI=1S/C15H24BrNO/c1-4-15(3,12-17-5-2)10-11-18-14-8-6-13(16)7-9-14/h6-9,17H,4-5,10-12H2,1-3H3
InChIKeyZDCOKGZIXSEGSW-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenoxy)-N-tert-butyl-2,2-diethylbutan-1-amine
CID 63507256
2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine
CID 55107238
N-[2-(4-bromophenoxy)ethyl]-3-methylpentan-3-amine
CID 106328670
N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62572745
4-(4-bromophenoxy)-2,2-diethylbutan-1-amine
CID 55106538
4-(4-bromophenoxy)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 83150672
2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine
CID 62724275
1-bromo-4-(3,3,3-trifluoropropoxy)benzene
CID 22913802
1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963
3-[2-(4-bromophenoxy)ethylamino]-2,2-dimethylpropan-1-ol
CID 113293890
2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propylpentan-1-amine
CID 63509767
2-[(5-bromo-2-methoxyphenyl)methyl]-N-ethyl-2-methylbutan-1-amine
CID 62726093

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-N,2-diethyl-2-methylbutan-1-amine?
The IUPAC name of 4-(4-bromophenoxy)-N,2-diethyl-2-methylbutan-1-amine (CID 62726090) is 4-(4-bromophenoxy)-N,2-diethyl-2-methylbutan-1-amine.
What is the SMILES notation for 4-(4-bromophenoxy)-N,2-diethyl-2-methylbutan-1-amine?
The canonical SMILES for 4-(4-bromophenoxy)-N,2-diethyl-2-methylbutan-1-amine is CCNCC(C)(CC)CCOc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenoxy)-N,2-diethyl-2-methylbutan-1-amine?
The InChIKey is ZDCOKGZIXSEGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-4-15(3,12-17-5-2)10-11-18-14-8-6-13(16)7-9-14/h6-9,17H,4-5,10-12H2,1-3H3.
What are the key properties of 4-(4-bromophenoxy)-N,2-diethyl-2-methylbutan-1-amine?
4-(4-bromophenoxy)-N,2-diethyl-2-methylbutan-1-amine has a molecular weight of 314.27 g/mol, XLogP of 4.24, 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,2-diethyl-2-methylbutan-1-amine is sourced from PubChem (CID 62726090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).