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

C16H25NO3 — CID 114491757

IUPAC1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-2-methylbutan-2-ol
SMILESCCC(C)(O)COc1c(CNC2CC2)cccc1OC
InChIInChI=1S/C16H25NO3/c1-4-16(2,18)11-20-15-12(10-17-13-8-9-13)6-5-7-14(15)19-3/h5-7,13,17-18H,4,8-11H2,1-3H3
InChIKeyLCEOGGUAVPXHOT-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.49
Rot. Bonds8

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

1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-2-methylbutan-2-ol (PubChem CID 114491757) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-2-methylbutan-2-ol
PubChem CID114491757
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-2-methylbutan-2-ol
SMILESCCC(C)(O)COc1c(CNC2CC2)cccc1OC
InChIInChI=1S/C16H25NO3/c1-4-16(2,18)11-20-15-12(10-17-13-8-9-13)6-5-7-14(15)19-3/h5-7,13,17-18H,4,8-11H2,1-3H3
InChIKeyLCEOGGUAVPXHOT-UHFFFAOYSA-N
XLogP2.49
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365555
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2-methylbutan-2-ol
CID 114491540
N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 80698601
1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
CID 63931067
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine
CID 106436826
2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid
CID 102535746
N-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide
CID 17053479
N-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43472080
4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 43220624

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-2-methylbutan-2-ol?
The IUPAC name of 1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-2-methylbutan-2-ol (CID 114491757) is 1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-2-methylbutan-2-ol is CCC(C)(O)COc1c(CNC2CC2)cccc1OC.
What is the InChIKey of 1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-2-methylbutan-2-ol?
The InChIKey is LCEOGGUAVPXHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-16(2,18)11-20-15-12(10-17-13-8-9-13)6-5-7-14(15)19-3/h5-7,13,17-18H,4,8-11H2,1-3H3.
What are the key properties of 1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-2-methylbutan-2-ol?
1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-2-methylbutan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 114491757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).