2-[1-[[(3,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol

C15H23NO3 — CID 114750236

IUPAC2-[1-[[(3,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
SMILESCOc1cc(CNCC2(CCO)CC2)cc(OC)c1
InChIInChI=1S/C15H23NO3/c1-18-13-7-12(8-14(9-13)19-2)10-16-11-15(3-4-15)5-6-17/h7-9,16-17H,3-6,10-11H2,1-2H3
InChIKeyGTQUNDCTIYSTMP-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.96
Rot. Bonds8

About 2-[1-[[(3,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol

2-[1-[[(3,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol (PubChem CID 114750236) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[1-[[(3,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(3,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
PubChem CID114750236
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[1-[[(3,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
SMILESCOc1cc(CNCC2(CCO)CC2)cc(OC)c1
InChIInChI=1S/C15H23NO3/c1-18-13-7-12(8-14(9-13)19-2)10-16-11-15(3-4-15)5-6-17/h7-9,16-17H,3-6,10-11H2,1-2H3
InChIKeyGTQUNDCTIYSTMP-UHFFFAOYSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750075
2-[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750331
2-[1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750274
1-(3,5-dimethoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743600
N-[(1-propylcyclopropyl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine
CID 103762036
2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 99839662
2-[1-[[[4-(3-methylbutoxy)phenyl]methylamino]methyl]cyclopropyl]ethanol
CID 114750364
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)methanamine
CID 115244164
2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol
CID 114756110
2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-6-methoxyphenol
CID 114750189
2-[4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]phenoxy]acetonitrile
CID 114756105
3-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-4-methoxybenzonitrile
CID 114756535

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(3,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol (CID 114750236) is 2-[1-[[(3,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(3,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(3,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol is COc1cc(CNCC2(CCO)CC2)cc(OC)c1.
What is the InChIKey of 2-[1-[[(3,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol?
The InChIKey is GTQUNDCTIYSTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-18-13-7-12(8-14(9-13)19-2)10-16-11-15(3-4-15)5-6-17/h7-9,16-17H,3-6,10-11H2,1-2H3.
What are the key properties of 2-[1-[[(3,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol?
2-[1-[[(3,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol has a molecular weight of 265.35 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114750236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).