1-(2-ethyl-6-methylphenyl)azetidin-3-amine

C12H18N2 — CID 117002804

IUPAC1-(2-ethyl-6-methylphenyl)azetidin-3-amine
SMILESCCc1cccc(C)c1N1CC(N)C1
InChIInChI=1S/C12H18N2/c1-3-10-6-4-5-9(2)12(10)14-7-11(13)8-14/h4-6,11H,3,7-8,13H2,1-2H3
InChIKeyRSYAWIPUJHVRFO-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.70
Rot. Bonds2

About 1-(2-ethyl-6-methylphenyl)azetidin-3-amine

1-(2-ethyl-6-methylphenyl)azetidin-3-amine (PubChem CID 117002804) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)azetidin-3-amine
PubChem CID117002804
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-(2-ethyl-6-methylphenyl)azetidin-3-amine
SMILESCCc1cccc(C)c1N1CC(N)C1
InChIInChI=1S/C12H18N2/c1-3-10-6-4-5-9(2)12(10)14-7-11(13)8-14/h4-6,11H,3,7-8,13H2,1-2H3
InChIKeyRSYAWIPUJHVRFO-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethyl-6-methylphenyl)pyrrolidine
CID 168515642
8-(2-ethyl-6-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739466
1-(2-ethyl-6-methylphenyl)piperidin-4-one
CID 117028332
methyl 1-(2-ethyl-6-methylphenyl)pyrrolidine-3-carboxylate
CID 117028348
1-(2-ethyl-6-methylphenyl)-4-(1-methylpiperidin-4-yl)piperidine
CID 59110945
3-[1-(2-ethyl-6-methylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002596
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]methanamine
CID 107105834
[2-(2,6-dimethylthiomorpholin-4-yl)-3-methylphenyl]methanamine
CID 107105724
4-amino-1-(2-ethyl-6-methylphenyl)piperidine-4-carboxylic acid
CID 117011778
1-(2-ethyl-6-methylphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669897
1-(2-ethyl-6-methylphenyl)-3,3-dimethyl-1,4-diazocane
CID 117016490
cyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone
CID 113075979

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)azetidin-3-amine?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)azetidin-3-amine (CID 117002804) is 1-(2-ethyl-6-methylphenyl)azetidin-3-amine.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)azetidin-3-amine?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)azetidin-3-amine is CCc1cccc(C)c1N1CC(N)C1.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)azetidin-3-amine?
The InChIKey is RSYAWIPUJHVRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-10-6-4-5-9(2)12(10)14-7-11(13)8-14/h4-6,11H,3,7-8,13H2,1-2H3.
What are the key properties of 1-(2-ethyl-6-methylphenyl)azetidin-3-amine?
1-(2-ethyl-6-methylphenyl)azetidin-3-amine has a molecular weight of 190.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)azetidin-3-amine is sourced from PubChem (CID 117002804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).