2,4-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline

C14H21NO — CID 115925815

IUPAC2,4-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline
SMILESCc1ccc(NC(C)C2CCOC2)c(C)c1
InChIInChI=1S/C14H21NO/c1-10-4-5-14(11(2)8-10)15-12(3)13-6-7-16-9-13/h4-5,8,12-13,15H,6-7,9H2,1-3H3
InChIKeyJKOWKWOBVXZQPU-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.14
Rot. Bonds3

About 2,4-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline

2,4-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline (PubChem CID 115925815) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline
PubChem CID115925815
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2,4-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline
SMILESCc1ccc(NC(C)C2CCOC2)c(C)c1
InChIInChI=1S/C14H21NO/c1-10-4-5-14(11(2)8-10)15-12(3)13-6-7-16-9-13/h4-5,8,12-13,15H,6-7,9H2,1-3H3
InChIKeyJKOWKWOBVXZQPU-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-5-methyl-N-[1-(oxolan-3-yl)ethyl]aniline
CID 113354819
2-ethoxy-4-methyl-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115929063
N-(1-cyclohexylethyl)-2,4-dimethylaniline
CID 43755727
4-fluoro-2-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115916579
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,4-dimethylaniline
CID 43307344
2-methyl-N-[1-(oxan-4-yl)ethyl]aniline
CID 115916403
1-(oxolan-3-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 115714685
3-methyl-4-nitro-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115886075
[(2,4-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229339
4-methyl-2-[1-[1-(oxolan-3-yl)ethylamino]ethyl]phenol
CID 113429377
2,4-dimethyl-N-(oxolan-3-ylmethyl)aniline
CID 43189804
5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]aniline
CID 113483482

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline?
The IUPAC name of 2,4-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline (CID 115925815) is 2,4-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline.
What is the SMILES notation for 2,4-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline?
The canonical SMILES for 2,4-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline is Cc1ccc(NC(C)C2CCOC2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline?
The InChIKey is JKOWKWOBVXZQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-4-5-14(11(2)8-10)15-12(3)13-6-7-16-9-13/h4-5,8,12-13,15H,6-7,9H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline?
2,4-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline has a molecular weight of 219.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline is sourced from PubChem (CID 115925815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).