4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline

C15H24N2O — CID 63726580

IUPAC4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline
SMILESCC(c1ccc(N)cc1)N(C)CC1CCCOC1
InChIInChI=1S/C15H24N2O/c1-12(14-5-7-15(16)8-6-14)17(2)10-13-4-3-9-18-11-13/h5-8,12-13H,3-4,9-11,16H2,1-2H3
InChIKeyWHLZWRCDYCMOKE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.69
Rot. Bonds4

About 4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline

4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline (PubChem CID 63726580) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline.

Molecular Properties

Compound Name4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline
PubChem CID63726580
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline
SMILESCC(c1ccc(N)cc1)N(C)CC1CCCOC1
InChIInChI=1S/C15H24N2O/c1-12(14-5-7-15(16)8-6-14)17(2)10-13-4-3-9-18-11-13/h5-8,12-13H,3-4,9-11,16H2,1-2H3
InChIKeyWHLZWRCDYCMOKE-UHFFFAOYSA-N
XLogP2.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline
CID 61443836
N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63726928
1-N-methyl-1-(4-methylphenyl)-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63727618
4-[2-[methyl(oxan-3-ylmethyl)amino]ethoxy]aniline
CID 63726412
1-(2-chlorophenyl)-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
CID 63727801
1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-ol
CID 63712304
1-(3-methoxyphenyl)-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
CID 63726760
5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol
CID 82980691
methyl 5-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]furan-2-carboxylate
CID 79091127
N-(cyclopentylmethyl)-N-methyl-1-phenylethanamine
CID 78880741
2-[methyl(oxan-3-ylmethyl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 63713462
2-(4-aminophenyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide
CID 80555110

Frequently Asked Questions

What is the IUPAC name of 4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline?
The IUPAC name of 4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline (CID 63726580) is 4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline.
What is the SMILES notation for 4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline?
The canonical SMILES for 4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline is CC(c1ccc(N)cc1)N(C)CC1CCCOC1.
What is the InChIKey of 4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline?
The InChIKey is WHLZWRCDYCMOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(14-5-7-15(16)8-6-14)17(2)10-13-4-3-9-18-11-13/h5-8,12-13H,3-4,9-11,16H2,1-2H3.
What are the key properties of 4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline?
4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline has a molecular weight of 248.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline is sourced from PubChem (CID 63726580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).