N-[[2-methyl-1-(4-methylphenyl)cyclobutyl]methyl]propan-2-amine

C16H25N — CID 66423351

IUPACN-[[2-methyl-1-(4-methylphenyl)cyclobutyl]methyl]propan-2-amine
SMILESCc1ccc(C2(CNC(C)C)CCC2C)cc1
InChIInChI=1S/C16H25N/c1-12(2)17-11-16(10-9-14(16)4)15-7-5-13(3)6-8-15/h5-8,12,14,17H,9-11H2,1-4H3
InChIKeyOJMGEWZUXNLQKA-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.66
Rot. Bonds4

About N-[[2-methyl-1-(4-methylphenyl)cyclobutyl]methyl]propan-2-amine

N-[[2-methyl-1-(4-methylphenyl)cyclobutyl]methyl]propan-2-amine (PubChem CID 66423351) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[[2-methyl-1-(4-methylphenyl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-methyl-1-(4-methylphenyl)cyclobutyl]methyl]propan-2-amine
PubChem CID66423351
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[[2-methyl-1-(4-methylphenyl)cyclobutyl]methyl]propan-2-amine
SMILESCc1ccc(C2(CNC(C)C)CCC2C)cc1
InChIInChI=1S/C16H25N/c1-12(2)17-11-16(10-9-14(16)4)15-7-5-13(3)6-8-15/h5-8,12,14,17H,9-11H2,1-4H3
InChIKeyOJMGEWZUXNLQKA-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-1-(4-methylphenyl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-methyl-1-(4-methylphenyl)cyclobutyl]methyl]propan-2-amine (CID 66423351) is N-[[2-methyl-1-(4-methylphenyl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-methyl-1-(4-methylphenyl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-methyl-1-(4-methylphenyl)cyclobutyl]methyl]propan-2-amine is Cc1ccc(C2(CNC(C)C)CCC2C)cc1.
What is the InChIKey of N-[[2-methyl-1-(4-methylphenyl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is OJMGEWZUXNLQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)17-11-16(10-9-14(16)4)15-7-5-13(3)6-8-15/h5-8,12,14,17H,9-11H2,1-4H3.
What are the key properties of N-[[2-methyl-1-(4-methylphenyl)cyclobutyl]methyl]propan-2-amine?
N-[[2-methyl-1-(4-methylphenyl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-1-(4-methylphenyl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 66423351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).