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

C15H24N2O — CID 62385506

IUPAC2-[[ethyl(oxan-4-ylmethyl)amino]methyl]aniline
SMILESCCN(Cc1ccccc1N)CC1CCOCC1
InChIInChI=1S/C15H24N2O/c1-2-17(11-13-7-9-18-10-8-13)12-14-5-3-4-6-15(14)16/h3-6,13H,2,7-12,16H2,1H3
InChIKeyRBINKRGBXHQHBV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.52
Rot. Bonds5

About 2-[[ethyl(oxan-4-ylmethyl)amino]methyl]aniline

2-[[ethyl(oxan-4-ylmethyl)amino]methyl]aniline (PubChem CID 62385506) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[[ethyl(oxan-4-ylmethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[ethyl(oxan-4-ylmethyl)amino]methyl]aniline
PubChem CID62385506
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[[ethyl(oxan-4-ylmethyl)amino]methyl]aniline
SMILESCCN(Cc1ccccc1N)CC1CCOCC1
InChIInChI=1S/C15H24N2O/c1-2-17(11-13-7-9-18-10-8-13)12-14-5-3-4-6-15(14)16/h3-6,13H,2,7-12,16H2,1H3
InChIKeyRBINKRGBXHQHBV-UHFFFAOYSA-N
XLogP2.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.52
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

2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 62385324
2-[[cyclobutylmethyl(propyl)amino]methyl]aniline
CID 65460357
2-[[cyclohexylmethyl(propyl)amino]methyl]aniline
CID 43459942
2-(diethylaminomethyl)-N-(oxan-4-ylmethyl)aniline
CID 62386684
2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 61343922
7-[[cyclobutylmethyl(ethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 107397347
4-amino-2-[[cyclopropylmethyl(ethyl)amino]methyl]phenol
CID 63955917
2-[[oxan-2-ylmethyl(propyl)amino]methyl]aniline
CID 43591944
2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid
CID 63956833
N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 63940458
2-[(2-aminophenyl)methyl-(cyclohexylmethyl)amino]acetamide
CID 43461373
2-[[ethyl(pentyl)amino]methyl]aniline
CID 43459376

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(oxan-4-ylmethyl)amino]methyl]aniline?
The IUPAC name of 2-[[ethyl(oxan-4-ylmethyl)amino]methyl]aniline (CID 62385506) is 2-[[ethyl(oxan-4-ylmethyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[ethyl(oxan-4-ylmethyl)amino]methyl]aniline?
The canonical SMILES for 2-[[ethyl(oxan-4-ylmethyl)amino]methyl]aniline is CCN(Cc1ccccc1N)CC1CCOCC1.
What is the InChIKey of 2-[[ethyl(oxan-4-ylmethyl)amino]methyl]aniline?
The InChIKey is RBINKRGBXHQHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-17(11-13-7-9-18-10-8-13)12-14-5-3-4-6-15(14)16/h3-6,13H,2,7-12,16H2,1H3.
What are the key properties of 2-[[ethyl(oxan-4-ylmethyl)amino]methyl]aniline?
2-[[ethyl(oxan-4-ylmethyl)amino]methyl]aniline has a molecular weight of 248.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(oxan-4-ylmethyl)amino]methyl]aniline is sourced from PubChem (CID 62385506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).