N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine

C17H27NO3 — CID 62107945

IUPACN-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
SMILESCCCNCC(OCC1CCCO1)c1cccc(OC)c1
InChIInChI=1S/C17H27NO3/c1-3-9-18-12-17(21-13-16-8-5-10-20-16)14-6-4-7-15(11-14)19-2/h4,6-7,11,16-18H,3,5,8-10,12-13H2,1-2H3
InChIKeyABXDKGALPGBSTQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.93
Rot. Bonds9

About N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine

N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine (PubChem CID 62107945) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
PubChem CID62107945
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
SMILESCCCNCC(OCC1CCCO1)c1cccc(OC)c1
InChIInChI=1S/C17H27NO3/c1-3-9-18-12-17(21-13-16-8-5-10-20-16)14-6-4-7-15(11-14)19-2/h4,6-7,11,16-18H,3,5,8-10,12-13H2,1-2H3
InChIKeyABXDKGALPGBSTQ-UHFFFAOYSA-N
XLogP2.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine
CID 62107947
N-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
CID 62107771
1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65167020
N-[2-(3-methoxyphenyl)-2-pentoxyethyl]propan-1-amine
CID 62109389
1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167019
N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166969
2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine
CID 62445664
N-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine
CID 62106084
1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 65378177
N-[2-(3-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]propan-1-amine
CID 55036275
N-ethyl-2-(3-methoxyphenyl)-2-propoxyethanamine
CID 55036120
2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 106205144

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine (CID 62107945) is N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine is CCCNCC(OCC1CCCO1)c1cccc(OC)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine?
The InChIKey is ABXDKGALPGBSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-9-18-12-17(21-13-16-8-5-10-20-16)14-6-4-7-15(11-14)19-2/h4,6-7,11,16-18H,3,5,8-10,12-13H2,1-2H3.
What are the key properties of N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine?
N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 62107945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).