2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine

C14H20BrNO — CID 106204927

IUPAC2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine
SMILESCNCC(OCCC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO/c1-16-10-14(17-9-8-11-2-3-11)12-4-6-13(15)7-5-12/h4-7,11,14,16H,2-3,8-10H2,1H3
InChIKeyIUNXBUWQQREORB-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.53
Rot. Bonds7

About 2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine

2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine (PubChem CID 106204927) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine
PubChem CID106204927
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine
SMILESCNCC(OCCC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO/c1-16-10-14(17-9-8-11-2-3-11)12-4-6-13(15)7-5-12/h4-7,11,14,16H,2-3,8-10H2,1H3
InChIKeyIUNXBUWQQREORB-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine 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-(2-cyclopropylethoxy)-N-methyl-2-(4-methylphenyl)ethanamine
CID 106204976
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
CID 106204893
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine
CID 106204912
2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine
CID 106205111
2-(4-bromophenyl)-2-(2-butoxyethoxy)-N-methylethanamine
CID 62110378
2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine
CID 55036521
2-(4-bromophenyl)-2-(3-methoxypropoxy)-N-methylethanamine
CID 62106281
2-(4-bromophenyl)-N-methyl-2-octoxyethanamine
CID 63476270
2-(4-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine
CID 106200075
N-[2-(4-bromophenyl)-2-(cyclopropylmethoxy)ethyl]-2-methylpropan-2-amine
CID 62107147
N-[2-(4-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine
CID 106204958
1-bromo-4-[1-(2-cyclobutylethoxy)ethyl]benzene
CID 166785433

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine?
The IUPAC name of 2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine (CID 106204927) is 2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine is CNCC(OCCC1CC1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine?
The InChIKey is IUNXBUWQQREORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-16-10-14(17-9-8-11-2-3-11)12-4-6-13(15)7-5-12/h4-7,11,14,16H,2-3,8-10H2,1H3.
What are the key properties of 2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine?
2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine has a molecular weight of 298.22 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine is sourced from PubChem (CID 106204927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).