N-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine

C15H23NO3 — CID 62450901

IUPACN-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine
SMILESCOc1cccc(OC)c1OCC(C)CNC1CC1
InChIInChI=1S/C15H23NO3/c1-11(9-16-12-7-8-12)10-19-15-13(17-2)5-4-6-14(15)18-3/h4-6,11-12,16H,7-10H2,1-3H3
InChIKeyWXOBBWUGTWQIKW-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.47
Rot. Bonds8

About N-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine

N-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine (PubChem CID 62450901) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine
PubChem CID62450901
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine
SMILESCOc1cccc(OC)c1OCC(C)CNC1CC1
InChIInChI=1S/C15H23NO3/c1-11(9-16-12-7-8-12)10-19-15-13(17-2)5-4-6-14(15)18-3/h4-6,11-12,16H,7-10H2,1-3H3
InChIKeyWXOBBWUGTWQIKW-UHFFFAOYSA-N
XLogP2.47
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine
CID 81269605
3-(2,6-dimethoxyphenoxy)-N-ethyl-2-methylpropan-1-amine
CID 62450721
N-tert-butyl-3-(2,6-dimethoxyphenoxy)-2-methylpropan-1-amine
CID 62451084
N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine
CID 29015300
N-[3-(2-chlorophenoxy)-2-methylpropyl]cyclopropanamine
CID 62454591
N-[3-(2-ethylphenoxy)-2-methylpropyl]cyclopropanamine
CID 62484643
(2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
CID 915883
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
CID 63931067
N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365555
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
3-(2,6-dimethoxyphenoxy)-N-(furan-2-ylmethyl)-2-methylpropan-1-amine
CID 3695807

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine (CID 62450901) is N-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine is COc1cccc(OC)c1OCC(C)CNC1CC1.
What is the InChIKey of N-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine?
The InChIKey is WXOBBWUGTWQIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(9-16-12-7-8-12)10-19-15-13(17-2)5-4-6-14(15)18-3/h4-6,11-12,16H,7-10H2,1-3H3.
What are the key properties of N-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine?
N-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine has a molecular weight of 265.35 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 62450901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).