2-(diethylaminomethyl)-N-(oxan-4-ylmethyl)aniline

C17H28N2O — CID 62386684

IUPAC2-(diethylaminomethyl)-N-(oxan-4-ylmethyl)aniline
SMILESCCN(CC)Cc1ccccc1NCC1CCOCC1
InChIInChI=1S/C17H28N2O/c1-3-19(4-2)14-16-7-5-6-8-17(16)18-13-15-9-11-20-12-10-15/h5-8,15,18H,3-4,9-14H2,1-2H3
InChIKeyNOMOJQYAXJPBSV-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.37
Rot. Bonds7

About 2-(diethylaminomethyl)-N-(oxan-4-ylmethyl)aniline

2-(diethylaminomethyl)-N-(oxan-4-ylmethyl)aniline (PubChem CID 62386684) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-N-(oxan-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-(diethylaminomethyl)-N-(oxan-4-ylmethyl)aniline
PubChem CID62386684
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(diethylaminomethyl)-N-(oxan-4-ylmethyl)aniline
SMILESCCN(CC)Cc1ccccc1NCC1CCOCC1
InChIInChI=1S/C17H28N2O/c1-3-19(4-2)14-16-7-5-6-8-17(16)18-13-15-9-11-20-12-10-15/h5-8,15,18H,3-4,9-14H2,1-2H3
InChIKeyNOMOJQYAXJPBSV-UHFFFAOYSA-N
XLogP3.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline
CID 55034710
2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline
CID 80554129
N-(cyclopropylmethyl)-2-[(dimethylamino)methyl]aniline
CID 43750217
N-[2-(diethylaminomethyl)phenyl]oxolan-3-amine
CID 63335462
2-ethylsulfonyl-N-(oxan-4-ylmethyl)aniline
CID 62385978
2-(diethylaminomethyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62658648
N-(oxan-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 55209485
3-bromo-2-ethyl-N-(oxan-4-ylmethyl)aniline
CID 123583224
2-[[ethyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 62385506
2-(diethylaminomethyl)-N-methylaniline
CID 23009383
2-(diethylaminomethyl)-N-(2-methylpropyl)aniline
CID 43729309
N-cyclohexyl-2-(diethylaminomethyl)aniline
CID 43729330

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-N-(oxan-4-ylmethyl)aniline?
The IUPAC name of 2-(diethylaminomethyl)-N-(oxan-4-ylmethyl)aniline (CID 62386684) is 2-(diethylaminomethyl)-N-(oxan-4-ylmethyl)aniline.
What is the SMILES notation for 2-(diethylaminomethyl)-N-(oxan-4-ylmethyl)aniline?
The canonical SMILES for 2-(diethylaminomethyl)-N-(oxan-4-ylmethyl)aniline is CCN(CC)Cc1ccccc1NCC1CCOCC1.
What is the InChIKey of 2-(diethylaminomethyl)-N-(oxan-4-ylmethyl)aniline?
The InChIKey is NOMOJQYAXJPBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-19(4-2)14-16-7-5-6-8-17(16)18-13-15-9-11-20-12-10-15/h5-8,15,18H,3-4,9-14H2,1-2H3.
What are the key properties of 2-(diethylaminomethyl)-N-(oxan-4-ylmethyl)aniline?
2-(diethylaminomethyl)-N-(oxan-4-ylmethyl)aniline has a molecular weight of 276.42 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-N-(oxan-4-ylmethyl)aniline is sourced from PubChem (CID 62386684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).