1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol

C17H27NO3 — CID 114491542

IUPAC1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol
SMILESCOc1ccc(OCC(C)(O)C(C)C)c(CNC2CC2)c1
InChIInChI=1S/C17H27NO3/c1-12(2)17(3,19)11-21-16-8-7-15(20-4)9-13(16)10-18-14-5-6-14/h7-9,12,14,18-19H,5-6,10-11H2,1-4H3
InChIKeyIODJLVWJKODDDV-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.73
Rot. Bonds8

About 1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol

1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol (PubChem CID 114491542) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol
PubChem CID114491542
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol
SMILESCOc1ccc(OCC(C)(O)C(C)C)c(CNC2CC2)c1
InChIInChI=1S/C17H27NO3/c1-12(2)17(3,19)11-21-16-8-7-15(20-4)9-13(16)10-18-14-5-6-14/h7-9,12,14,18-19H,5-6,10-11H2,1-4H3
InChIKeyIODJLVWJKODDDV-UHFFFAOYSA-N
XLogP2.73
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2-methylbutan-2-ol
CID 114491540
N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276456
N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 61481281
N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365198
N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine
CID 61485354
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[[2-(2-ethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 82926714
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 81106162
1-[5-methoxy-2-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol
CID 114491839
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol (CID 114491542) is 1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol is COc1ccc(OCC(C)(O)C(C)C)c(CNC2CC2)c1.
What is the InChIKey of 1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol?
The InChIKey is IODJLVWJKODDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(2)17(3,19)11-21-16-8-7-15(20-4)9-13(16)10-18-14-5-6-14/h7-9,12,14,18-19H,5-6,10-11H2,1-4H3.
What are the key properties of 1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol?
1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 2.73, 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]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114491542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).