N-[2-(4-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethyl]cyclopropanamine

C17H25NO3 — CID 62111242

IUPACN-[2-(4-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethyl]cyclopropanamine
SMILESCOc1ccc(C(CNC2CC2)OCC2CCOC2)cc1
InChIInChI=1S/C17H25NO3/c1-19-16-6-2-14(3-7-16)17(10-18-15-4-5-15)21-12-13-8-9-20-11-13/h2-3,6-7,13,15,17-18H,4-5,8-12H2,1H3
InChIKeyLTPBBUAEASEDGU-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.54
Rot. Bonds8

About N-[2-(4-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethyl]cyclopropanamine

N-[2-(4-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethyl]cyclopropanamine (PubChem CID 62111242) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethyl]cyclopropanamine
PubChem CID62111242
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[2-(4-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethyl]cyclopropanamine
SMILESCOc1ccc(C(CNC2CC2)OCC2CCOC2)cc1
InChIInChI=1S/C17H25NO3/c1-19-16-6-2-14(3-7-16)17(10-18-15-4-5-15)21-12-13-8-9-20-11-13/h2-3,6-7,13,15,17-18H,4-5,8-12H2,1H3
InChIKeyLTPBBUAEASEDGU-UHFFFAOYSA-N
XLogP2.54
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine
CID 62108597
N-[2-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)ethyl]cyclopropanamine
CID 82005990
(1R)-1-(4-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81370808
N-[3-methoxy-2-(oxolan-3-ylmethoxy)propyl]cyclopropanamine
CID 103228592
N-[3-methyl-2-(oxolan-3-ylmethoxy)butyl]cyclopropanamine
CID 62485595
N-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 66322051
3-[[1-(4-chlorophenyl)-2-iodoethoxy]methyl]oxolane
CID 114773805
3-[[1-(4-fluorophenyl)-2-iodoethoxy]methyl]oxolane
CID 114773800
2-(cyclohexylmethoxy)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 62384236
N-methyl-2-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 62111410
N-ethyl-2-(2-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 62111411
N-[4-(oxolan-3-ylmethoxy)pentyl]cyclopropanamine
CID 62486502

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethyl]cyclopropanamine (CID 62111242) is N-[2-(4-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethyl]cyclopropanamine is COc1ccc(C(CNC2CC2)OCC2CCOC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethyl]cyclopropanamine?
The InChIKey is LTPBBUAEASEDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-19-16-6-2-14(3-7-16)17(10-18-15-4-5-15)21-12-13-8-9-20-11-13/h2-3,6-7,13,15,17-18H,4-5,8-12H2,1H3.
What are the key properties of N-[2-(4-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethyl]cyclopropanamine?
N-[2-(4-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethyl]cyclopropanamine has a molecular weight of 291.39 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethyl]cyclopropanamine is sourced from PubChem (CID 62111242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).