N-[(3,4-dibromophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine

C14H21Br2NO — CID 114114869

IUPACN-[(3,4-dibromophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
SMILESCCOCC(NCc1ccc(Br)c(Br)c1)C(C)C
InChIInChI=1S/C14H21Br2NO/c1-4-18-9-14(10(2)3)17-8-11-5-6-12(15)13(16)7-11/h5-7,10,14,17H,4,8-9H2,1-3H3
InChIKeyGLKDZRMQZMTRLA-UHFFFAOYSA-N
MW379.14 g/mol
LogP4.36
Rot. Bonds7

About N-[(3,4-dibromophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine

N-[(3,4-dibromophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine (PubChem CID 114114869) has the molecular formula C14H21Br2NO and a molecular weight of 379.14 g/mol. Its IUPAC name is N-[(3,4-dibromophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(3,4-dibromophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
PubChem CID114114869
Molecular FormulaC14H21Br2NO
Molecular Weight379.14 g/mol
Exact Mass377.00
IUPAC NameN-[(3,4-dibromophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
SMILESCCOCC(NCc1ccc(Br)c(Br)c1)C(C)C
InChIInChI=1S/C14H21Br2NO/c1-4-18-9-14(10(2)3)17-8-11-5-6-12(15)13(16)7-11/h5-7,10,14,17H,4,8-9H2,1-3H3
InChIKeyGLKDZRMQZMTRLA-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.14
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271022
N-[(2-bromo-5-methoxyphenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271187
N-[(4-chlorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271048
5-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-methoxyphenol
CID 103271015
4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-fluorophenol
CID 114114858
4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-N,N-dimethylaniline
CID 103271170
N-[(4-bromo-3-methylphenyl)methyl]-2-methylpentan-3-amine
CID 66472030
1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 103271063
N-[(4-bromothiophen-2-yl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271033
1-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 107859064
N-[(5-bromo-2-fluorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271161
N-[(4-bromo-3-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 81436611

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dibromophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine?
The IUPAC name of N-[(3,4-dibromophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine (CID 114114869) is N-[(3,4-dibromophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-[(3,4-dibromophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine?
The canonical SMILES for N-[(3,4-dibromophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine is CCOCC(NCc1ccc(Br)c(Br)c1)C(C)C.
What is the InChIKey of N-[(3,4-dibromophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine?
The InChIKey is GLKDZRMQZMTRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br2NO/c1-4-18-9-14(10(2)3)17-8-11-5-6-12(15)13(16)7-11/h5-7,10,14,17H,4,8-9H2,1-3H3.
What are the key properties of N-[(3,4-dibromophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine?
N-[(3,4-dibromophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine has a molecular weight of 379.14 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dibromophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine is sourced from PubChem (CID 114114869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).