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

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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).