4-[(N-ethyl-2-methylanilino)methyl]-4-methyloxolan-3-amine

C15H24N2O — CID 66263494

IUPAC4-[(N-ethyl-2-methylanilino)methyl]-4-methyloxolan-3-amine
SMILESCCN(CC1(C)COCC1N)c1ccccc1C
InChIInChI=1S/C15H24N2O/c1-4-17(13-8-6-5-7-12(13)2)10-15(3)11-18-9-14(15)16/h5-8,14H,4,9-11,16H2,1-3H3
InChIKeyZMBHBCBCHKSYIO-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.19
Rot. Bonds4

About 4-[(N-ethyl-2-methylanilino)methyl]-4-methyloxolan-3-amine

4-[(N-ethyl-2-methylanilino)methyl]-4-methyloxolan-3-amine (PubChem CID 66263494) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[(N-ethyl-2-methylanilino)methyl]-4-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[(N-ethyl-2-methylanilino)methyl]-4-methyloxolan-3-amine
PubChem CID66263494
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[(N-ethyl-2-methylanilino)methyl]-4-methyloxolan-3-amine
SMILESCCN(CC1(C)COCC1N)c1ccccc1C
InChIInChI=1S/C15H24N2O/c1-4-17(13-8-6-5-7-12(13)2)10-15(3)11-18-9-14(15)16/h5-8,14H,4,9-11,16H2,1-3H3
InChIKeyZMBHBCBCHKSYIO-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(N-ethyl-2-methylanilino)methyl]-4-methyloxolan-3-amine?
The IUPAC name of 4-[(N-ethyl-2-methylanilino)methyl]-4-methyloxolan-3-amine (CID 66263494) is 4-[(N-ethyl-2-methylanilino)methyl]-4-methyloxolan-3-amine.
What is the SMILES notation for 4-[(N-ethyl-2-methylanilino)methyl]-4-methyloxolan-3-amine?
The canonical SMILES for 4-[(N-ethyl-2-methylanilino)methyl]-4-methyloxolan-3-amine is CCN(CC1(C)COCC1N)c1ccccc1C.
What is the InChIKey of 4-[(N-ethyl-2-methylanilino)methyl]-4-methyloxolan-3-amine?
The InChIKey is ZMBHBCBCHKSYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-17(13-8-6-5-7-12(13)2)10-15(3)11-18-9-14(15)16/h5-8,14H,4,9-11,16H2,1-3H3.
What are the key properties of 4-[(N-ethyl-2-methylanilino)methyl]-4-methyloxolan-3-amine?
4-[(N-ethyl-2-methylanilino)methyl]-4-methyloxolan-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-ethyl-2-methylanilino)methyl]-4-methyloxolan-3-amine is sourced from PubChem (CID 66263494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).