2,4-dimethyl-N-(oxolan-3-ylmethyl)aniline

C13H19NO — CID 43189804

IUPAC2,4-dimethyl-N-(oxolan-3-ylmethyl)aniline
SMILESCc1ccc(NCC2CCOC2)c(C)c1
InChIInChI=1S/C13H19NO/c1-10-3-4-13(11(2)7-10)14-8-12-5-6-15-9-12/h3-4,7,12,14H,5-6,8-9H2,1-2H3
InChIKeyMBZWEAXHIQNZIB-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.75
Rot. Bonds3

About 2,4-dimethyl-N-(oxolan-3-ylmethyl)aniline

2,4-dimethyl-N-(oxolan-3-ylmethyl)aniline (PubChem CID 43189804) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2,4-dimethyl-N-(oxolan-3-ylmethyl)aniline.

Molecular Properties

Compound Name2,4-dimethyl-N-(oxolan-3-ylmethyl)aniline
PubChem CID43189804
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2,4-dimethyl-N-(oxolan-3-ylmethyl)aniline
SMILESCc1ccc(NCC2CCOC2)c(C)c1
InChIInChI=1S/C13H19NO/c1-10-3-4-13(11(2)7-10)14-8-12-5-6-15-9-12/h3-4,7,12,14H,5-6,8-9H2,1-2H3
InChIKeyMBZWEAXHIQNZIB-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-(oxolan-3-ylmethylamino)benzamide
CID 43706987
4-chloro-2-methyl-N-(oxan-4-ylmethyl)aniline
CID 62386096
1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60920008
2,4-dimethyl-N-(thiolan-3-ylmethyl)aniline
CID 107131111
3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide
CID 63211762
4-fluoro-2-iodo-N-(oxolan-3-ylmethyl)aniline
CID 79769061
3-iodo-4-methyl-N-(oxolan-3-ylmethyl)aniline
CID 43716317
N,N,4-trimethyl-3-(oxolan-3-ylmethylamino)benzamide
CID 43695009
2,5-dichloro-N-(oxolan-3-ylmethyl)aniline
CID 43191026
2,5-difluoro-N-(oxolan-3-ylmethyl)aniline
CID 43192592
2,6-dimethyl-3-(oxan-4-ylmethylamino)phenol
CID 62385987
2,5-dimethyl-4-(oxan-3-ylmethylamino)phenol
CID 106953820

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(oxolan-3-ylmethyl)aniline?
The IUPAC name of 2,4-dimethyl-N-(oxolan-3-ylmethyl)aniline (CID 43189804) is 2,4-dimethyl-N-(oxolan-3-ylmethyl)aniline.
What is the SMILES notation for 2,4-dimethyl-N-(oxolan-3-ylmethyl)aniline?
The canonical SMILES for 2,4-dimethyl-N-(oxolan-3-ylmethyl)aniline is Cc1ccc(NCC2CCOC2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(oxolan-3-ylmethyl)aniline?
The InChIKey is MBZWEAXHIQNZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-3-4-13(11(2)7-10)14-8-12-5-6-15-9-12/h3-4,7,12,14H,5-6,8-9H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-(oxolan-3-ylmethyl)aniline?
2,4-dimethyl-N-(oxolan-3-ylmethyl)aniline has a molecular weight of 205.30 g/mol, XLogP of 2.75, 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-(oxolan-3-ylmethyl)aniline is sourced from PubChem (CID 43189804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).