N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine

C15H23Br2NO — CID 103460542

IUPACN-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine
SMILESCCOc1c(Br)cc(Br)cc1CNCC(C)(C)CC
InChIInChI=1S/C15H23Br2NO/c1-5-15(3,4)10-18-9-11-7-12(16)8-13(17)14(11)19-6-2/h7-8,18H,5-6,9-10H2,1-4H3
InChIKeyGKCDQTNFEKDOPJ-UHFFFAOYSA-N
MW393.16 g/mol
LogP5.14
Rot. Bonds7

About N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine

N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine (PubChem CID 103460542) has the molecular formula C15H23Br2NO and a molecular weight of 393.16 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine
PubChem CID103460542
Molecular FormulaC15H23Br2NO
Molecular Weight393.16 g/mol
Exact Mass391.01
IUPAC NameN-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine
SMILESCCOc1c(Br)cc(Br)cc1CNCC(C)(C)CC
InChIInChI=1S/C15H23Br2NO/c1-5-15(3,4)10-18-9-11-7-12(16)8-13(17)14(11)19-6-2/h7-8,18H,5-6,9-10H2,1-4H3
InChIKeyGKCDQTNFEKDOPJ-UHFFFAOYSA-N
XLogP5.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.16
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine
CID 4717481
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63226362
(2S)-1-[(3,5-dibromo-2-ethoxyphenyl)methylamino]propan-2-ol
CID 51432536
1-cyclohexyl-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]methanamine
CID 43220452
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylsulfanylethanamine
CID 60658348
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylbutan-1-amine
CID 63476481
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331469
2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline
CID 107597573
1-(3,5-dibromo-2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275664
4-[[(3,5-dibromo-2-ethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106127186
2-butoxy-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]ethanamine
CID 63452839
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-thiophen-3-ylmethanamine
CID 55163040

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine?
The IUPAC name of N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine (CID 103460542) is N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine is CCOc1c(Br)cc(Br)cc1CNCC(C)(C)CC.
What is the InChIKey of N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine?
The InChIKey is GKCDQTNFEKDOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Br2NO/c1-5-15(3,4)10-18-9-11-7-12(16)8-13(17)14(11)19-6-2/h7-8,18H,5-6,9-10H2,1-4H3.
What are the key properties of N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine?
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine has a molecular weight of 393.16 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 103460542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).