2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine

C15H22BrN — CID 66476339

IUPAC2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
SMILESCC1(C)C(C(N)Cc2cccc(Br)c2)C1(C)C
InChIInChI=1S/C15H22BrN/c1-14(2)13(15(14,3)4)12(17)9-10-6-5-7-11(16)8-10/h5-8,12-13H,9,17H2,1-4H3
InChIKeyLJFVMTCIJUUUTL-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.00
Rot. Bonds3

About 2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine

2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine (PubChem CID 66476339) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
PubChem CID66476339
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
SMILESCC1(C)C(C(N)Cc2cccc(Br)c2)C1(C)C
InChIInChI=1S/C15H22BrN/c1-14(2)13(15(14,3)4)12(17)9-10-6-5-7-11(16)8-10/h5-8,12-13H,9,17H2,1-4H3
InChIKeyLJFVMTCIJUUUTL-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-[2-bromo-2-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzene
CID 66478431
2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 66478373
2-(3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 66475957
(2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 178200029
1-(3-bromophenyl)butan-2-amine;hydrochloride
CID 170888459
5-(3-bromophenyl)-4-methylpentan-2-amine
CID 64719403
1-bromo-3-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]benzene
CID 107003144
1-(3-bromophenyl)-3-methoxy-3-methylbutan-2-amine
CID 79198468
2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 60819321
2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 60820005
2-(3-bromophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769029
1-bromo-3-(2,2-dimethoxyethyl)benzene;ethane
CID 143308934

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine (CID 66476339) is 2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine is CC1(C)C(C(N)Cc2cccc(Br)c2)C1(C)C.
What is the InChIKey of 2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
The InChIKey is LJFVMTCIJUUUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-14(2)13(15(14,3)4)12(17)9-10-6-5-7-11(16)8-10/h5-8,12-13H,9,17H2,1-4H3.
What are the key properties of 2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine has a molecular weight of 296.25 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine is sourced from PubChem (CID 66476339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).