1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine

C14H20BrN — CID 104986405

IUPAC1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine
SMILESCCNC(CC1CC1)c1cc(C)ccc1Br
InChIInChI=1S/C14H20BrN/c1-3-16-14(9-11-5-6-11)12-8-10(2)4-7-13(12)15/h4,7-8,11,14,16H,3,5-6,9H2,1-2H3
InChIKeyIZNJUYGPHKXMJN-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.21
Rot. Bonds5

About 1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine

1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine (PubChem CID 104986405) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine
PubChem CID104986405
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine
SMILESCCNC(CC1CC1)c1cc(C)ccc1Br
InChIInChI=1S/C14H20BrN/c1-3-16-14(9-11-5-6-11)12-8-10(2)4-7-13(12)15/h4,7-8,11,14,16H,3,5-6,9H2,1-2H3
InChIKeyIZNJUYGPHKXMJN-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 43489649
2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 114457580
1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105138866
2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 115842003
1-(2-bromo-5-methylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 115834278
2-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-ethylethanamine
CID 63505858
2-cyclopentyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 60778145
1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 106857386
2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 114457630
1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 105138597
1-(2-bromo-5-methylphenyl)-N-ethylpent-4-yn-1-amine
CID 115859283
1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846995

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine (CID 104986405) is 1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine is CCNC(CC1CC1)c1cc(C)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine?
The InChIKey is IZNJUYGPHKXMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-3-16-14(9-11-5-6-11)12-8-10(2)4-7-13(12)15/h4,7-8,11,14,16H,3,5-6,9H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine?
1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine has a molecular weight of 282.22 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine is sourced from PubChem (CID 104986405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).