2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine

C18H29NO2 — CID 65158699

IUPAC2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cccc(OCCCC2CCCO2)c1
InChIInChI=1S/C18H29NO2/c1-18(2,3)19-14-15-7-4-8-17(13-15)21-12-6-10-16-9-5-11-20-16/h4,7-8,13,16,19H,5-6,9-12,14H2,1-3H3
InChIKeyWMUJKFFFUPTDMJ-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.91
Rot. Bonds7

About 2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine

2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine (PubChem CID 65158699) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine
PubChem CID65158699
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cccc(OCCCC2CCCO2)c1
InChIInChI=1S/C18H29NO2/c1-18(2,3)19-14-15-7-4-8-17(13-15)21-12-6-10-16-9-5-11-20-16/h4,7-8,13,16,19H,5-6,9-12,14H2,1-3H3
InChIKeyWMUJKFFFUPTDMJ-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine 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-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]cyclopropanamine
CID 65158588
2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine
CID 65158746
N-[(3-ethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163939
2-[2-[3-(bromomethyl)phenoxy]ethyl]oxolane
CID 65163188
2-[3-(4-tert-butylphenoxy)propyl]oxolane
CID 65170270
2-[3-(3-propan-2-ylphenoxy)propyl]oxane
CID 123154741
N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxolan-2-ylmethyl)ethanamine
CID 62436955
N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43278533
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54804154
2-(3-tert-butylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 7394073
2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62438277

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine (CID 65158699) is 2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine is CC(C)(C)NCc1cccc(OCCCC2CCCO2)c1.
What is the InChIKey of 2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine?
The InChIKey is WMUJKFFFUPTDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-18(2,3)19-14-15-7-4-8-17(13-15)21-12-6-10-16-9-5-11-20-16/h4,7-8,13,16,19H,5-6,9-12,14H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine?
2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine has a molecular weight of 291.43 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 65158699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).