1-[3-bromo-2-(2-ethylcyclohexyl)oxyphenyl]butan-2-amine

C18H28BrNO — CID 63862926

IUPAC1-[3-bromo-2-(2-ethylcyclohexyl)oxyphenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(Br)c1OC1CCCCC1CC
InChIInChI=1S/C18H28BrNO/c1-3-13-8-5-6-11-17(13)21-18-14(12-15(20)4-2)9-7-10-16(18)19/h7,9-10,13,15,17H,3-6,8,11-12,20H2,1-2H3
InChIKeyHFEYOFVIKUMYPH-UHFFFAOYSA-N
MW354.33 g/mol
LogP5.08
Rot. Bonds6

About 1-[3-bromo-2-(2-ethylcyclohexyl)oxyphenyl]butan-2-amine

1-[3-bromo-2-(2-ethylcyclohexyl)oxyphenyl]butan-2-amine (PubChem CID 63862926) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is 1-[3-bromo-2-(2-ethylcyclohexyl)oxyphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-bromo-2-(2-ethylcyclohexyl)oxyphenyl]butan-2-amine
PubChem CID63862926
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC Name1-[3-bromo-2-(2-ethylcyclohexyl)oxyphenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(Br)c1OC1CCCCC1CC
InChIInChI=1S/C18H28BrNO/c1-3-13-8-5-6-11-17(13)21-18-14(12-15(20)4-2)9-7-10-16(18)19/h7,9-10,13,15,17H,3-6,8,11-12,20H2,1-2H3
InChIKeyHFEYOFVIKUMYPH-UHFFFAOYSA-N
XLogP5.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.33
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine
CID 61391929
1-(3-bromo-2-propoxyphenyl)butan-2-amine
CID 61392389
2-[2-(2-aminobutyl)-6-bromophenoxy]-N-cyclopropylpropanamide
CID 61392465
[3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine
CID 63861212
1-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-3-fluorobenzene
CID 112613680
1-[3-bromo-4-(2-ethylcyclohexyl)oxyphenyl]propan-2-amine
CID 63863292
[3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine
CID 107741276
1-[5-bromo-2-(2-ethylcyclohexyl)oxy-3-methylphenyl]propan-2-amine
CID 115962866
2-bromo-6-(2-ethylcyclohexyl)oxypyridine
CID 63964037
1-(2-cyclohexyloxyphenyl)butan-2-amine
CID 54930577
N-[[2-(2-ethylcyclohexyl)oxy-3-fluorophenyl]methyl]ethanamine
CID 115953347
1-bromo-3-(2-ethylcyclohexyl)oxybenzene
CID 63863406

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-(2-ethylcyclohexyl)oxyphenyl]butan-2-amine?
The IUPAC name of 1-[3-bromo-2-(2-ethylcyclohexyl)oxyphenyl]butan-2-amine (CID 63862926) is 1-[3-bromo-2-(2-ethylcyclohexyl)oxyphenyl]butan-2-amine.
What is the SMILES notation for 1-[3-bromo-2-(2-ethylcyclohexyl)oxyphenyl]butan-2-amine?
The canonical SMILES for 1-[3-bromo-2-(2-ethylcyclohexyl)oxyphenyl]butan-2-amine is CCC(N)Cc1cccc(Br)c1OC1CCCCC1CC.
What is the InChIKey of 1-[3-bromo-2-(2-ethylcyclohexyl)oxyphenyl]butan-2-amine?
The InChIKey is HFEYOFVIKUMYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-3-13-8-5-6-11-17(13)21-18-14(12-15(20)4-2)9-7-10-16(18)19/h7,9-10,13,15,17H,3-6,8,11-12,20H2,1-2H3.
What are the key properties of 1-[3-bromo-2-(2-ethylcyclohexyl)oxyphenyl]butan-2-amine?
1-[3-bromo-2-(2-ethylcyclohexyl)oxyphenyl]butan-2-amine has a molecular weight of 354.33 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-(2-ethylcyclohexyl)oxyphenyl]butan-2-amine is sourced from PubChem (CID 63862926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).