[3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine

C15H21Br2NO — CID 107741276

IUPAC[3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine
SMILESCCC1CCCCC1Oc1c(Br)cc(CN)cc1Br
InChIInChI=1S/C15H21Br2NO/c1-2-11-5-3-4-6-14(11)19-15-12(16)7-10(9-18)8-13(15)17/h7-8,11,14H,2-6,9,18H2,1H3
InChIKeyBMYSBYKVTZHZST-UHFFFAOYSA-N
MW391.15 g/mol
LogP5.02
Rot. Bonds4

About [3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine

[3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine (PubChem CID 107741276) has the molecular formula C15H21Br2NO and a molecular weight of 391.15 g/mol. Its IUPAC name is [3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine
PubChem CID107741276
Molecular FormulaC15H21Br2NO
Molecular Weight391.15 g/mol
Exact Mass389.00
IUPAC Name[3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine
SMILESCCC1CCCCC1Oc1c(Br)cc(CN)cc1Br
InChIInChI=1S/C15H21Br2NO/c1-2-11-5-3-4-6-14(11)19-15-12(16)7-10(9-18)8-13(15)17/h7-8,11,14H,2-6,9,18H2,1H3
InChIKeyBMYSBYKVTZHZST-UHFFFAOYSA-N
XLogP5.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.15
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-ethylcyclohexyl)oxy-3,5-difluorophenyl]methanamine
CID 79887009
1-[3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 107741690
1-bromo-5-(chloromethyl)-3-ethoxy-2-(2-ethylcyclohexyl)oxybenzene
CID 63862164
2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]cyclopentan-1-ol
CID 60887933
[4-(2-ethylcyclohexyl)oxy-3,5-dimethylphenyl]methanol
CID 63862685
[3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine
CID 63861212
2-bromo-4-(chloromethyl)-1-(2-ethylcyclohexyl)oxybenzene
CID 55252184
1-[3-bromo-4-(2-ethylcyclohexyl)oxyphenyl]propan-2-amine
CID 63863292
2-[3,5-dichloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine
CID 63861675
3-bromo-5-(2-ethylcyclohexyl)oxyaniline
CID 103588346
4-(2-ethylcyclohexyl)oxy-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
CID 77068944
1-[3-bromo-2-(2-ethylcyclohexyl)oxyphenyl]butan-2-amine
CID 63862926

Frequently Asked Questions

What is the IUPAC name of [3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine?
The IUPAC name of [3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine (CID 107741276) is [3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine.
What is the SMILES notation for [3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine?
The canonical SMILES for [3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine is CCC1CCCCC1Oc1c(Br)cc(CN)cc1Br.
What is the InChIKey of [3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine?
The InChIKey is BMYSBYKVTZHZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2NO/c1-2-11-5-3-4-6-14(11)19-15-12(16)7-10(9-18)8-13(15)17/h7-8,11,14H,2-6,9,18H2,1H3.
What are the key properties of [3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine?
[3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine has a molecular weight of 391.15 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine is sourced from PubChem (CID 107741276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).