2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine

C14H20BrNO — CID 61064439

IUPAC2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Br)cc1)C1CCCO1
InChIInChI=1S/C14H20BrNO/c1-2-16-13(14-4-3-9-17-14)10-11-5-7-12(15)8-6-11/h5-8,13-14,16H,2-4,9-10H2,1H3
InChIKeyLXOJHOZLUPIOAP-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.15
Rot. Bonds5

About 2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine

2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine (PubChem CID 61064439) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
PubChem CID61064439
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Br)cc1)C1CCCO1
InChIInChI=1S/C14H20BrNO/c1-2-16-13(14-4-3-9-17-14)10-11-5-7-12(15)8-6-11/h5-8,13-14,16H,2-4,9-10H2,1H3
InChIKeyLXOJHOZLUPIOAP-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 115842866
2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 65328912
2-(5-bromothiophen-2-yl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 65328636
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 105015601
N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine
CID 61065088
N-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328260
2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine
CID 61063961
2-(ethylamino)-2-(oxolan-2-yl)ethanol
CID 82838374
N-[2-(5-bromo-2-pyridinyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105036459
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 106866575
N-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328765
N-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine
CID 125486098

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine (CID 61064439) is 2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine is CCNC(Cc1ccc(Br)cc1)C1CCCO1.
What is the InChIKey of 2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine?
The InChIKey is LXOJHOZLUPIOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-2-16-13(14-4-3-9-17-14)10-11-5-7-12(15)8-6-11/h5-8,13-14,16H,2-4,9-10H2,1H3.
What are the key properties of 2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine?
2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine has a molecular weight of 298.22 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 61064439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).