2-methyl-N-[[3-methyl-2-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine

C18H29NO2 — CID 115954254

IUPAC2-methyl-N-[[3-methyl-2-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCc1cccc(CNC(C)(C)C)c1OCC1CCCCO1
InChIInChI=1S/C18H29NO2/c1-14-8-7-9-15(12-19-18(2,3)4)17(14)21-13-16-10-5-6-11-20-16/h7-9,16,19H,5-6,10-13H2,1-4H3
InChIKeyFEUDHIPXCXWIFV-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.83
Rot. Bonds5

About 2-methyl-N-[[3-methyl-2-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine

2-methyl-N-[[3-methyl-2-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine (PubChem CID 115954254) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-methyl-N-[[3-methyl-2-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-methyl-2-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
PubChem CID115954254
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-methyl-N-[[3-methyl-2-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCc1cccc(CNC(C)(C)C)c1OCC1CCCCO1
InChIInChI=1S/C18H29NO2/c1-14-8-7-9-15(12-19-18(2,3)4)17(14)21-13-16-10-5-6-11-20-16/h7-9,16,19H,5-6,10-13H2,1-4H3
InChIKeyFEUDHIPXCXWIFV-UHFFFAOYSA-N
XLogP3.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-chloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115954695
1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608637
2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 63059546
2-methyl-N-[[6-methyl-4-(oxan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81255068
N-[[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43591779
1-[2-(cyclopentylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608312
2-methyl-N-[[2-(oxan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62444899
1-[2-(cyclohexylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608444
N-[[3-bromo-2-(oxan-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63058877
2-methyl-N-[[4-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81254995
1-cyclohexyl-N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine
CID 54804284
2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]oxane
CID 112614015

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-methyl-2-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-methyl-2-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine (CID 115954254) is 2-methyl-N-[[3-methyl-2-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-methyl-2-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-methyl-2-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine is Cc1cccc(CNC(C)(C)C)c1OCC1CCCCO1.
What is the InChIKey of 2-methyl-N-[[3-methyl-2-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is FEUDHIPXCXWIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14-8-7-9-15(12-19-18(2,3)4)17(14)21-13-16-10-5-6-11-20-16/h7-9,16,19H,5-6,10-13H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-methyl-2-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine?
2-methyl-N-[[3-methyl-2-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-methyl-2-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 115954254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).