N-methyl-3-(2-methylphenyl)cyclobutan-1-amine

C12H17N — CID 43632423

IUPACN-methyl-3-(2-methylphenyl)cyclobutan-1-amine
SMILESCNC1CC(c2ccccc2C)C1
InChIInChI=1S/C12H17N/c1-9-5-3-4-6-12(9)10-7-11(8-10)13-2/h3-6,10-11,13H,7-8H2,1-2H3
InChIKeyNDCDDUDSZNQLKV-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.46
Rot. Bonds2

About N-methyl-3-(2-methylphenyl)cyclobutan-1-amine

N-methyl-3-(2-methylphenyl)cyclobutan-1-amine (PubChem CID 43632423) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is N-methyl-3-(2-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-methylphenyl)cyclobutan-1-amine
PubChem CID43632423
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC NameN-methyl-3-(2-methylphenyl)cyclobutan-1-amine
SMILESCNC1CC(c2ccccc2C)C1
InChIInChI=1S/C12H17N/c1-9-5-3-4-6-12(9)10-7-11(8-10)13-2/h3-6,10-11,13H,7-8H2,1-2H3
InChIKeyNDCDDUDSZNQLKV-UHFFFAOYSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-methyl-3-(2-methylphenyl)cyclobutan-1-amine (CID 43632423) is N-methyl-3-(2-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-methyl-3-(2-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-methyl-3-(2-methylphenyl)cyclobutan-1-amine is CNC1CC(c2ccccc2C)C1.
What is the InChIKey of N-methyl-3-(2-methylphenyl)cyclobutan-1-amine?
The InChIKey is NDCDDUDSZNQLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-5-3-4-6-12(9)10-7-11(8-10)13-2/h3-6,10-11,13H,7-8H2,1-2H3.
What are the key properties of N-methyl-3-(2-methylphenyl)cyclobutan-1-amine?
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine has a molecular weight of 175.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 43632423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).