1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol

C15H23NO4 — CID 63931067

IUPAC1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
SMILESCOCC(O)COc1c(CNC2CC2)cccc1OC
InChIInChI=1S/C15H23NO4/c1-18-9-13(17)10-20-15-11(8-16-12-6-7-12)4-3-5-14(15)19-2/h3-5,12-13,16-17H,6-10H2,1-2H3
InChIKeyRKKSSZCAXPIVNX-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.33
Rot. Bonds9

About 1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol

1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol (PubChem CID 63931067) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
PubChem CID63931067
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
SMILESCOCC(O)COc1c(CNC2CC2)cccc1OC
InChIInChI=1S/C15H23NO4/c1-18-9-13(17)10-20-15-11(8-16-12-6-7-12)4-3-5-14(15)19-2/h3-5,12-13,16-17H,6-10H2,1-2H3
InChIKeyRKKSSZCAXPIVNX-UHFFFAOYSA-N
XLogP1.33
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365555
1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
CID 63929615
N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 80698601
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine
CID 106436826
1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988475
1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-2-methylbutan-2-ol
CID 114491757
2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid
CID 102535746
3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol
CID 112609987
N-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43472080

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol?
The IUPAC name of 1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol (CID 63931067) is 1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol is COCC(O)COc1c(CNC2CC2)cccc1OC.
What is the InChIKey of 1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol?
The InChIKey is RKKSSZCAXPIVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-18-9-13(17)10-20-15-11(8-16-12-6-7-12)4-3-5-14(15)19-2/h3-5,12-13,16-17H,6-10H2,1-2H3.
What are the key properties of 1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol?
1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol has a molecular weight of 281.35 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol is sourced from PubChem (CID 63931067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).