2-chloro-3-methyl-N-(3-methylcyclobutyl)aniline

C12H16ClN — CID 126975405

IUPAC2-chloro-3-methyl-N-(3-methylcyclobutyl)aniline
SMILESCc1cccc(NC2CC(C)C2)c1Cl
InChIInChI=1S/C12H16ClN/c1-8-6-10(7-8)14-11-5-3-4-9(2)12(11)13/h3-5,8,10,14H,6-7H2,1-2H3
InChIKeyXGRUAZCRRANHKH-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.86
Rot. Bonds2

About 2-chloro-3-methyl-N-(3-methylcyclobutyl)aniline

2-chloro-3-methyl-N-(3-methylcyclobutyl)aniline (PubChem CID 126975405) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 2-chloro-3-methyl-N-(3-methylcyclobutyl)aniline.

Molecular Properties

Compound Name2-chloro-3-methyl-N-(3-methylcyclobutyl)aniline
PubChem CID126975405
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name2-chloro-3-methyl-N-(3-methylcyclobutyl)aniline
SMILESCc1cccc(NC2CC(C)C2)c1Cl
InChIInChI=1S/C12H16ClN/c1-8-6-10(7-8)14-11-5-3-4-9(2)12(11)13/h3-5,8,10,14H,6-7H2,1-2H3
InChIKeyXGRUAZCRRANHKH-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-N-(3-methylcyclobutyl)aniline?
The IUPAC name of 2-chloro-3-methyl-N-(3-methylcyclobutyl)aniline (CID 126975405) is 2-chloro-3-methyl-N-(3-methylcyclobutyl)aniline.
What is the SMILES notation for 2-chloro-3-methyl-N-(3-methylcyclobutyl)aniline?
The canonical SMILES for 2-chloro-3-methyl-N-(3-methylcyclobutyl)aniline is Cc1cccc(NC2CC(C)C2)c1Cl.
What is the InChIKey of 2-chloro-3-methyl-N-(3-methylcyclobutyl)aniline?
The InChIKey is XGRUAZCRRANHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-8-6-10(7-8)14-11-5-3-4-9(2)12(11)13/h3-5,8,10,14H,6-7H2,1-2H3.
What are the key properties of 2-chloro-3-methyl-N-(3-methylcyclobutyl)aniline?
2-chloro-3-methyl-N-(3-methylcyclobutyl)aniline has a molecular weight of 209.72 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-N-(3-methylcyclobutyl)aniline is sourced from PubChem (CID 126975405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).