3-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine

C15H22BrNO2 — CID 116722110

IUPAC3-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
SMILESCNC(Cc1cc(OC)ccc1Br)C(OC)C1CC1
InChIInChI=1S/C15H22BrNO2/c1-17-14(15(19-3)10-4-5-10)9-11-8-12(18-2)6-7-13(11)16/h6-8,10,14-15,17H,4-5,9H2,1-3H3
InChIKeyYERPLWAJAMMPNJ-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.01
Rot. Bonds7

About 3-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine

3-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine (PubChem CID 116722110) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 3-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name3-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
PubChem CID116722110
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name3-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
SMILESCNC(Cc1cc(OC)ccc1Br)C(OC)C1CC1
InChIInChI=1S/C15H22BrNO2/c1-17-14(15(19-3)10-4-5-10)9-11-8-12(18-2)6-7-13(11)16/h6-8,10,14-15,17H,4-5,9H2,1-3H3
InChIKeyYERPLWAJAMMPNJ-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
CID 116722235
1-(2-bromo-5-methoxyphenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105150997
1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine
CID 115862124
3-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569796
1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine
CID 115862327
[2-(2-bromo-5-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224433
1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-1-methoxy-N-methylpropan-2-amine
CID 116722108
2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401737
1-(6-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)ethanamine
CID 115862194
1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 65325611
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine
CID 116715608
2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 65325112

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine?
The IUPAC name of 3-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine (CID 116722110) is 3-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 3-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 3-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine is CNC(Cc1cc(OC)ccc1Br)C(OC)C1CC1.
What is the InChIKey of 3-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine?
The InChIKey is YERPLWAJAMMPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-17-14(15(19-3)10-4-5-10)9-11-8-12(18-2)6-7-13(11)16/h6-8,10,14-15,17H,4-5,9H2,1-3H3.
What are the key properties of 3-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine?
3-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine has a molecular weight of 328.25 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 116722110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).