2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine

C18H29NO2 — CID 115464442

IUPAC2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine
SMILESCC(C)CNCCc1ccccc1COC1CCOCC1
InChIInChI=1S/C18H29NO2/c1-15(2)13-19-10-7-16-5-3-4-6-17(16)14-21-18-8-11-20-12-9-18/h3-6,15,18-19H,7-14H2,1-2H3
InChIKeyLIBCHSBNPJUXTF-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.17
Rot. Bonds8

About 2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine

2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine (PubChem CID 115464442) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine
PubChem CID115464442
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine
SMILESCC(C)CNCCc1ccccc1COC1CCOCC1
InChIInChI=1S/C18H29NO2/c1-15(2)13-19-10-7-16-5-3-4-6-17(16)14-21-18-8-11-20-12-9-18/h3-6,15,18-19H,7-14H2,1-2H3
InChIKeyLIBCHSBNPJUXTF-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 55073049
methyl 2-(oxan-4-yloxymethyl)benzoate
CID 81434511
2-[2-(oxan-4-yloxymethyl)phenyl]acetic acid
CID 113314325
2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine
CID 115465001
N-methyl-2-[2-[(4-methylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 115464530
N-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine
CID 63557703
2-methyl-N-[2-[2-[(3-methylmorpholin-4-yl)methyl]phenyl]ethyl]propan-1-amine
CID 115463705
N-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine
CID 115464481
2-methyl-N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62440700
N-[[3-chloro-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 115954788
4-phenylmethoxyoxane
CID 66554133
2-methyl-N-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]propan-1-amine
CID 115463424

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine (CID 115464442) is 2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine is CC(C)CNCCc1ccccc1COC1CCOCC1.
What is the InChIKey of 2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine?
The InChIKey is LIBCHSBNPJUXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15(2)13-19-10-7-16-5-3-4-6-17(16)14-21-18-8-11-20-12-9-18/h3-6,15,18-19H,7-14H2,1-2H3.
What are the key properties of 2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine?
2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 115464442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).