1-cyclohexyl-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]methanamine

C16H23Br2NO — CID 43220452

IUPAC1-cyclohexyl-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]methanamine
SMILESCCOc1c(Br)cc(Br)cc1CNCC1CCCCC1
InChIInChI=1S/C16H23Br2NO/c1-2-20-16-13(8-14(17)9-15(16)18)11-19-10-12-6-4-3-5-7-12/h8-9,12,19H,2-7,10-11H2,1H3
InChIKeyGGPORLBJJBJQNZ-UHFFFAOYSA-N
MW405.17 g/mol
LogP5.28
Rot. Bonds6

About 1-cyclohexyl-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]methanamine

1-cyclohexyl-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]methanamine (PubChem CID 43220452) has the molecular formula C16H23Br2NO and a molecular weight of 405.17 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]methanamine
PubChem CID43220452
Molecular FormulaC16H23Br2NO
Molecular Weight405.17 g/mol
Exact Mass403.01
IUPAC Name1-cyclohexyl-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]methanamine
SMILESCCOc1c(Br)cc(Br)cc1CNCC1CCCCC1
InChIInChI=1S/C16H23Br2NO/c1-2-20-16-13(8-14(17)9-15(16)18)11-19-10-12-6-4-3-5-7-12/h8-9,12,19H,2-7,10-11H2,1H3
InChIKeyGGPORLBJJBJQNZ-UHFFFAOYSA-N
XLogP5.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.17
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(3,5-dibromo-2-ethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106127186
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 61021075
2,4-dibromo-6-[(cyclohexylmethylamino)methyl]phenol;hydrochloride
CID 71365544
(2S)-1-[(3,5-dibromo-2-ethoxyphenyl)methylamino]propan-2-ol
CID 51432536
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
4-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62320717
1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine
CID 4717481
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
CID 107386598
N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclooctanamine
CID 29225030
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylbutan-1-amine
CID 63476481
2-butoxy-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]ethanamine
CID 63452839

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]methanamine (CID 43220452) is 1-cyclohexyl-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]methanamine is CCOc1c(Br)cc(Br)cc1CNCC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]methanamine?
The InChIKey is GGPORLBJJBJQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Br2NO/c1-2-20-16-13(8-14(17)9-15(16)18)11-19-10-12-6-4-3-5-7-12/h8-9,12,19H,2-7,10-11H2,1H3.
What are the key properties of 1-cyclohexyl-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]methanamine?
1-cyclohexyl-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]methanamine has a molecular weight of 405.17 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 43220452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).