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

C14H21Br2NO — CID 63476481

IUPACN-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylbutan-1-amine
SMILESCCOc1c(Br)cc(Br)cc1CNCC(C)CC
InChIInChI=1S/C14H21Br2NO/c1-4-10(3)8-17-9-11-6-12(15)7-13(16)14(11)18-5-2/h6-7,10,17H,4-5,8-9H2,1-3H3
InChIKeyFOVXSCQCMHLNRR-UHFFFAOYSA-N
MW379.14 g/mol
LogP4.75
Rot. Bonds7

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

N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylbutan-1-amine (PubChem CID 63476481) has the molecular formula C14H21Br2NO and a molecular weight of 379.14 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylbutan-1-amine
PubChem CID63476481
Molecular FormulaC14H21Br2NO
Molecular Weight379.14 g/mol
Exact Mass377.00
IUPAC NameN-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylbutan-1-amine
SMILESCCOc1c(Br)cc(Br)cc1CNCC(C)CC
InChIInChI=1S/C14H21Br2NO/c1-4-10(3)8-17-9-11-6-12(15)7-13(16)14(11)18-5-2/h6-7,10,17H,4-5,8-9H2,1-3H3
InChIKeyFOVXSCQCMHLNRR-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(3,5-dibromo-2-ethoxyphenyl)methylamino]propan-2-ol
CID 51432536
3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]-2-hydroxypropanamide
CID 106171817
1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine
CID 4717481
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylsulfanylethanamine
CID 60658348
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103460542
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63226362
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-thiophen-3-ylmethanamine
CID 55163040
2-[(3,5-dibromo-2-ethoxyphenyl)methylamino]propanoic acid
CID 54959237
1-cyclohexyl-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]methanamine
CID 43220452
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
3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]pentanenitrile
CID 62648012

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylbutan-1-amine?
The IUPAC name of N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylbutan-1-amine (CID 63476481) is N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylbutan-1-amine is CCOc1c(Br)cc(Br)cc1CNCC(C)CC.
What is the InChIKey of N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylbutan-1-amine?
The InChIKey is FOVXSCQCMHLNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br2NO/c1-4-10(3)8-17-9-11-6-12(15)7-13(16)14(11)18-5-2/h6-7,10,17H,4-5,8-9H2,1-3H3.
What are the key properties of N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylbutan-1-amine?
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylbutan-1-amine has a molecular weight of 379.14 g/mol, XLogP of 4.75, 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-methylbutan-1-amine is sourced from PubChem (CID 63476481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).