2,4,6-trimethyl-N-[(3-methyloxetan-3-yl)methyl]aniline

C14H21NO — CID 107235336

IUPAC2,4,6-trimethyl-N-[(3-methyloxetan-3-yl)methyl]aniline
SMILESCc1cc(C)c(NCC2(C)COC2)c(C)c1
InChIInChI=1S/C14H21NO/c1-10-5-11(2)13(12(3)6-10)15-7-14(4)8-16-9-14/h5-6,15H,7-9H2,1-4H3
InChIKeyNGULYHOXQYQZIA-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.06
Rot. Bonds3

About 2,4,6-trimethyl-N-[(3-methyloxetan-3-yl)methyl]aniline

2,4,6-trimethyl-N-[(3-methyloxetan-3-yl)methyl]aniline (PubChem CID 107235336) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(3-methyloxetan-3-yl)methyl]aniline.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(3-methyloxetan-3-yl)methyl]aniline
PubChem CID107235336
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2,4,6-trimethyl-N-[(3-methyloxetan-3-yl)methyl]aniline
SMILESCc1cc(C)c(NCC2(C)COC2)c(C)c1
InChIInChI=1S/C14H21NO/c1-10-5-11(2)13(12(3)6-10)15-7-14(4)8-16-9-14/h5-6,15H,7-9H2,1-4H3
InChIKeyNGULYHOXQYQZIA-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4,6-trimethyl-N-[(3-methyloxetan-3-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dimethylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957495
1,5-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine
CID 130736530
6-fluoro-8-methyl-4-[(3-methyloxetan-3-yl)methylamino]quinoline-3-carbonitrile
CID 133352960
2-chloro-N-[(3-methyloxetan-3-yl)methyl]pyridin-4-amine
CID 103756861
5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridin-3-amine
CID 130161188
2-bromo-5-chloro-N-[(3-methyloxetan-3-yl)methyl]aniline
CID 81280438
N-methyl-1-(3-methyloxetan-3-yl)methanamine
CID 42564177
3-bromo-4-fluoro-N-[(3-methyloxetan-3-yl)methyl]aniline
CID 104777237
3-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 107235182
3-cyclopentylsulfonyl-4-methyl-N-[(3-methyloxetan-3-yl)methyl]aniline
CID 167782862
2-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrazol-3-amine
CID 130685382
5-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 78956870

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(3-methyloxetan-3-yl)methyl]aniline?
The IUPAC name of 2,4,6-trimethyl-N-[(3-methyloxetan-3-yl)methyl]aniline (CID 107235336) is 2,4,6-trimethyl-N-[(3-methyloxetan-3-yl)methyl]aniline.
What is the SMILES notation for 2,4,6-trimethyl-N-[(3-methyloxetan-3-yl)methyl]aniline?
The canonical SMILES for 2,4,6-trimethyl-N-[(3-methyloxetan-3-yl)methyl]aniline is Cc1cc(C)c(NCC2(C)COC2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(3-methyloxetan-3-yl)methyl]aniline?
The InChIKey is NGULYHOXQYQZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-5-11(2)13(12(3)6-10)15-7-14(4)8-16-9-14/h5-6,15H,7-9H2,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-[(3-methyloxetan-3-yl)methyl]aniline?
2,4,6-trimethyl-N-[(3-methyloxetan-3-yl)methyl]aniline has a molecular weight of 219.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(3-methyloxetan-3-yl)methyl]aniline is sourced from PubChem (CID 107235336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).