N-methyl-1-[1-(3-methylphenyl)-3-phenylcyclobutyl]methanamine

C19H23N — CID 65014530

IUPACN-methyl-1-[1-(3-methylphenyl)-3-phenylcyclobutyl]methanamine
SMILESCNCC1(c2cccc(C)c2)CC(c2ccccc2)C1
InChIInChI=1S/C19H23N/c1-15-7-6-10-18(11-15)19(14-20-2)12-17(13-19)16-8-4-3-5-9-16/h3-11,17,20H,12-14H2,1-2H3
InChIKeyIAKLSQUASDCZDF-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.03
Rot. Bonds4

About N-methyl-1-[1-(3-methylphenyl)-3-phenylcyclobutyl]methanamine

N-methyl-1-[1-(3-methylphenyl)-3-phenylcyclobutyl]methanamine (PubChem CID 65014530) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is N-methyl-1-[1-(3-methylphenyl)-3-phenylcyclobutyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(3-methylphenyl)-3-phenylcyclobutyl]methanamine
PubChem CID65014530
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC NameN-methyl-1-[1-(3-methylphenyl)-3-phenylcyclobutyl]methanamine
SMILESCNCC1(c2cccc(C)c2)CC(c2ccccc2)C1
InChIInChI=1S/C19H23N/c1-15-7-6-10-18(11-15)19(14-20-2)12-17(13-19)16-8-4-3-5-9-16/h3-11,17,20H,12-14H2,1-2H3
InChIKeyIAKLSQUASDCZDF-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-methylphenyl)-3-phenylcyclobutyl]methanamine?
The IUPAC name of N-methyl-1-[1-(3-methylphenyl)-3-phenylcyclobutyl]methanamine (CID 65014530) is N-methyl-1-[1-(3-methylphenyl)-3-phenylcyclobutyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(3-methylphenyl)-3-phenylcyclobutyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(3-methylphenyl)-3-phenylcyclobutyl]methanamine is CNCC1(c2cccc(C)c2)CC(c2ccccc2)C1.
What is the InChIKey of N-methyl-1-[1-(3-methylphenyl)-3-phenylcyclobutyl]methanamine?
The InChIKey is IAKLSQUASDCZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-15-7-6-10-18(11-15)19(14-20-2)12-17(13-19)16-8-4-3-5-9-16/h3-11,17,20H,12-14H2,1-2H3.
What are the key properties of N-methyl-1-[1-(3-methylphenyl)-3-phenylcyclobutyl]methanamine?
N-methyl-1-[1-(3-methylphenyl)-3-phenylcyclobutyl]methanamine has a molecular weight of 265.40 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-methylphenyl)-3-phenylcyclobutyl]methanamine is sourced from PubChem (CID 65014530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).