3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine

C14H22N2 — CID 116937424

IUPAC3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine
SMILESCc1ccc(C(N)C2CC(N)C2)c(C)c1C
InChIInChI=1S/C14H22N2/c1-8-4-5-13(10(3)9(8)2)14(16)11-6-12(15)7-11/h4-5,11-12,14H,6-7,15-16H2,1-3H3
InChIKeyWCNGHIQUYGYOLO-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.35
Rot. Bonds2

About 3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine

3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine (PubChem CID 116937424) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine
PubChem CID116937424
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine
SMILESCc1ccc(C(N)C2CC(N)C2)c(C)c1C
InChIInChI=1S/C14H22N2/c1-8-4-5-13(10(3)9(8)2)14(16)11-6-12(15)7-11/h4-5,11-12,14H,6-7,15-16H2,1-3H3
InChIKeyWCNGHIQUYGYOLO-UHFFFAOYSA-N
XLogP2.35
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

piperidin-4-yl-(2,3,4-trimethylphenyl)methanamine
CID 116935917
3-[amino-(5-tert-butyl-2-methylphenyl)methyl]cyclobutan-1-amine
CID 116937320
2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116936522
1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116855521
(3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methanamine
CID 104988996
(R)-cyclopropyl-(2,3-dimethylphenyl)methanamine
CID 55278882
(4-ethylcyclohexyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433606
2-amino-2-(2,3,4-trimethylphenyl)ethanethiol
CID 116830565
2-piperidin-3-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116936414
(2,4-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65412175
(2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65410620
2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine
CID 116941716

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine (CID 116937424) is 3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine is Cc1ccc(C(N)C2CC(N)C2)c(C)c1C.
What is the InChIKey of 3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine?
The InChIKey is WCNGHIQUYGYOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-8-4-5-13(10(3)9(8)2)14(16)11-6-12(15)7-11/h4-5,11-12,14H,6-7,15-16H2,1-3H3.
What are the key properties of 3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine?
3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 116937424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).