1-[2-bromo-4-(2-cyclopropylethoxy)phenyl]-N-methylethanamine

C14H20BrNO — CID 106202263

IUPAC1-[2-bromo-4-(2-cyclopropylethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCC2CC2)cc1Br
InChIInChI=1S/C14H20BrNO/c1-10(16-2)13-6-5-12(9-14(13)15)17-8-7-11-3-4-11/h5-6,9-11,16H,3-4,7-8H2,1-2H3
InChIKeyFDWAKAJWQXTFGD-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.91
Rot. Bonds6

About 1-[2-bromo-4-(2-cyclopropylethoxy)phenyl]-N-methylethanamine

1-[2-bromo-4-(2-cyclopropylethoxy)phenyl]-N-methylethanamine (PubChem CID 106202263) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-[2-bromo-4-(2-cyclopropylethoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-bromo-4-(2-cyclopropylethoxy)phenyl]-N-methylethanamine
PubChem CID106202263
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-[2-bromo-4-(2-cyclopropylethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCC2CC2)cc1Br
InChIInChI=1S/C14H20BrNO/c1-10(16-2)13-6-5-12(9-14(13)15)17-8-7-11-3-4-11/h5-6,9-11,16H,3-4,7-8H2,1-2H3
InChIKeyFDWAKAJWQXTFGD-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine
CID 106202259
2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene
CID 104707383
1-[2-chloro-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine
CID 106202367
1-[2-(2-cyclopropylethoxy)-5-fluoro-4-methylphenyl]-N-methylethanamine
CID 106202269
1-[2-(2-cyclopropylethoxy)-4-pyridinyl]-N-methylethanamine
CID 106202201
(1S)-1-[4-bromo-2-(2-cyclopropylethoxy)phenyl]ethanol
CID 102949240
1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine
CID 106202199
1-[2-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine
CID 82954332
1-[2-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylethanamine
CID 112587918
4-(2-cyclopropylethoxy)-2-ethoxyaniline
CID 106199653
1-(2-bromo-4-ethoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine
CID 107001318
1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine
CID 107716952

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-4-(2-cyclopropylethoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-bromo-4-(2-cyclopropylethoxy)phenyl]-N-methylethanamine (CID 106202263) is 1-[2-bromo-4-(2-cyclopropylethoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-bromo-4-(2-cyclopropylethoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-bromo-4-(2-cyclopropylethoxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(OCCC2CC2)cc1Br.
What is the InChIKey of 1-[2-bromo-4-(2-cyclopropylethoxy)phenyl]-N-methylethanamine?
The InChIKey is FDWAKAJWQXTFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10(16-2)13-6-5-12(9-14(13)15)17-8-7-11-3-4-11/h5-6,9-11,16H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[2-bromo-4-(2-cyclopropylethoxy)phenyl]-N-methylethanamine?
1-[2-bromo-4-(2-cyclopropylethoxy)phenyl]-N-methylethanamine has a molecular weight of 298.22 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-4-(2-cyclopropylethoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 106202263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).