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

C17H25NO2 — CID 62106890

IUPACN-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine
SMILESCc1ccc(C(CNC2CC2)OCC2CCCO2)cc1
InChIInChI=1S/C17H25NO2/c1-13-4-6-14(7-5-13)17(11-18-15-8-9-15)20-12-16-3-2-10-19-16/h4-7,15-18H,2-3,8-12H2,1H3
InChIKeyXERQLFFASGYGCH-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.98
Rot. Bonds7

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

N-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine (PubChem CID 62106890) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine
PubChem CID62106890
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine
SMILESCc1ccc(C(CNC2CC2)OCC2CCCO2)cc1
InChIInChI=1S/C17H25NO2/c1-13-4-6-14(7-5-13)17(11-18-15-8-9-15)20-12-16-3-2-10-19-16/h4-7,15-18H,2-3,8-12H2,1H3
InChIKeyXERQLFFASGYGCH-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]cyclopropanamine
CID 62107918
N-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 66322051
N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine
CID 62107947
1-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)propan-1-amine
CID 43184114
N-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62105975
N-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
CID 62107771
2-(4-chlorophenyl)-N-ethyl-2-(oxan-2-ylmethoxy)ethanamine
CID 62106135
N-[2-(oxolan-2-ylmethoxy)propyl]cyclopentanamine
CID 62572194
2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine
CID 62445664
N-[2-(oxolan-2-ylmethoxy)propyl]cyclohexanamine
CID 62572342
N-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 106667054
N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]cyclopropanamine
CID 79437936

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine (CID 62106890) is N-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine is Cc1ccc(C(CNC2CC2)OCC2CCCO2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine?
The InChIKey is XERQLFFASGYGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-4-6-14(7-5-13)17(11-18-15-8-9-15)20-12-16-3-2-10-19-16/h4-7,15-18H,2-3,8-12H2,1H3.
What are the key properties of N-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine?
N-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine has a molecular weight of 275.39 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine is sourced from PubChem (CID 62106890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).