1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine

C13H17BrClN — CID 104986286

IUPAC1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine
SMILESCCNC(CC1CC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H17BrClN/c1-2-16-13(7-9-3-4-9)11-6-5-10(14)8-12(11)15/h5-6,8-9,13,16H,2-4,7H2,1H3
InChIKeyKSHSGRVBHZCEOL-UHFFFAOYSA-N
MW302.64 g/mol
LogP4.55
Rot. Bonds5

About 1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine

1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine (PubChem CID 104986286) has the molecular formula C13H17BrClN and a molecular weight of 302.64 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine
PubChem CID104986286
Molecular FormulaC13H17BrClN
Molecular Weight302.64 g/mol
Exact Mass301.02
IUPAC Name1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine
SMILESCCNC(CC1CC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H17BrClN/c1-2-16-13(7-9-3-4-9)11-6-5-10(14)8-12(11)15/h5-6,8-9,13,16H,2-4,7H2,1H3
InChIKeyKSHSGRVBHZCEOL-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.64
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 106857386
1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine
CID 114979228
1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine
CID 114981819
1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine
CID 115841909
1-(2-chloro-4-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 106857381
2-cyclohexyl-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 43489649
1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N,N'-diethylpropane-1,3-diamine
CID 82779676
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 105003781
N-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107945969
1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63527590
1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986405
1-(4-bromo-2-chlorophenyl)-2-(4-bromo-2-fluorophenyl)-N-ethylethanamine
CID 115844408

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine (CID 104986286) is 1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine is CCNC(CC1CC1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine?
The InChIKey is KSHSGRVBHZCEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClN/c1-2-16-13(7-9-3-4-9)11-6-5-10(14)8-12(11)15/h5-6,8-9,13,16H,2-4,7H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine?
1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine has a molecular weight of 302.64 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine is sourced from PubChem (CID 104986286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).