2-(4-bromophenyl)-N-ethyl-2-(2-phenylcyclopropyl)ethanamine

C19H22BrN — CID 116518136

IUPAC2-(4-bromophenyl)-N-ethyl-2-(2-phenylcyclopropyl)ethanamine
SMILESCCNCC(c1ccc(Br)cc1)C1CC1c1ccccc1
InChIInChI=1S/C19H22BrN/c1-2-21-13-19(15-8-10-16(20)11-9-15)18-12-17(18)14-6-4-3-5-7-14/h3-11,17-19,21H,2,12-13H2,1H3
InChIKeyKXSJBGVSSAKWNW-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.95
Rot. Bonds6

About 2-(4-bromophenyl)-N-ethyl-2-(2-phenylcyclopropyl)ethanamine

2-(4-bromophenyl)-N-ethyl-2-(2-phenylcyclopropyl)ethanamine (PubChem CID 116518136) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-ethyl-2-(2-phenylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-ethyl-2-(2-phenylcyclopropyl)ethanamine
PubChem CID116518136
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC Name2-(4-bromophenyl)-N-ethyl-2-(2-phenylcyclopropyl)ethanamine
SMILESCCNCC(c1ccc(Br)cc1)C1CC1c1ccccc1
InChIInChI=1S/C19H22BrN/c1-2-21-13-19(15-8-10-16(20)11-9-15)18-12-17(18)14-6-4-3-5-7-14/h3-11,17-19,21H,2,12-13H2,1H3
InChIKeyKXSJBGVSSAKWNW-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-phenyl-2-(2-phenylcyclopropyl)ethanamine
CID 116518116
N-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052687
[2-(4-bromophenyl)sulfanyl-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105236080
[(1S,2R)-2-butan-2-ylcyclopropyl]benzene
CID 100977404
2-(2-phenylcyclopropyl)-N-propylbutan-1-amine
CID 116518006
(1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol
CID 124828711
1-(2-phenylcyclopropyl)propan-1-amine
CID 116517334
2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine
CID 62107358
2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol
CID 130128748
2-(4-bromophenyl)-2-(3,4-dimethylcyclohexyl)oxy-N-ethylethanamine
CID 64744560
[2-methyl-1-(2-phenylcyclopropyl)butyl]hydrazine
CID 105219816
2-methyl-N-(2-methylpropyl)-3-(2-phenylcyclopropyl)butan-1-amine
CID 116518633

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-ethyl-2-(2-phenylcyclopropyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-ethyl-2-(2-phenylcyclopropyl)ethanamine (CID 116518136) is 2-(4-bromophenyl)-N-ethyl-2-(2-phenylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-ethyl-2-(2-phenylcyclopropyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-ethyl-2-(2-phenylcyclopropyl)ethanamine is CCNCC(c1ccc(Br)cc1)C1CC1c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)-N-ethyl-2-(2-phenylcyclopropyl)ethanamine?
The InChIKey is KXSJBGVSSAKWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN/c1-2-21-13-19(15-8-10-16(20)11-9-15)18-12-17(18)14-6-4-3-5-7-14/h3-11,17-19,21H,2,12-13H2,1H3.
What are the key properties of 2-(4-bromophenyl)-N-ethyl-2-(2-phenylcyclopropyl)ethanamine?
2-(4-bromophenyl)-N-ethyl-2-(2-phenylcyclopropyl)ethanamine has a molecular weight of 344.30 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-ethyl-2-(2-phenylcyclopropyl)ethanamine is sourced from PubChem (CID 116518136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).