N-[(2,5-dimethylphenyl)-phenylmethyl]-N-methylazetidin-3-amine

C19H24N2 — CID 66188467

IUPACN-[(2,5-dimethylphenyl)-phenylmethyl]-N-methylazetidin-3-amine
SMILESCc1ccc(C)c(C(c2ccccc2)N(C)C2CNC2)c1
InChIInChI=1S/C19H24N2/c1-14-9-10-15(2)18(11-14)19(16-7-5-4-6-8-16)21(3)17-12-20-13-17/h4-11,17,19-20H,12-13H2,1-3H3
InChIKeyGMGVVFQIGALXIS-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.30
Rot. Bonds4

About N-[(2,5-dimethylphenyl)-phenylmethyl]-N-methylazetidin-3-amine

N-[(2,5-dimethylphenyl)-phenylmethyl]-N-methylazetidin-3-amine (PubChem CID 66188467) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)-phenylmethyl]-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)-phenylmethyl]-N-methylazetidin-3-amine
PubChem CID66188467
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC NameN-[(2,5-dimethylphenyl)-phenylmethyl]-N-methylazetidin-3-amine
SMILESCc1ccc(C)c(C(c2ccccc2)N(C)C2CNC2)c1
InChIInChI=1S/C19H24N2/c1-14-9-10-15(2)18(11-14)19(16-7-5-4-6-8-16)21(3)17-12-20-13-17/h4-11,17,19-20H,12-13H2,1-3H3
InChIKeyGMGVVFQIGALXIS-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)-phenylmethyl]-N-methylazetidin-3-amine?
The IUPAC name of N-[(2,5-dimethylphenyl)-phenylmethyl]-N-methylazetidin-3-amine (CID 66188467) is N-[(2,5-dimethylphenyl)-phenylmethyl]-N-methylazetidin-3-amine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)-phenylmethyl]-N-methylazetidin-3-amine?
The canonical SMILES for N-[(2,5-dimethylphenyl)-phenylmethyl]-N-methylazetidin-3-amine is Cc1ccc(C)c(C(c2ccccc2)N(C)C2CNC2)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)-phenylmethyl]-N-methylazetidin-3-amine?
The InChIKey is GMGVVFQIGALXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-14-9-10-15(2)18(11-14)19(16-7-5-4-6-8-16)21(3)17-12-20-13-17/h4-11,17,19-20H,12-13H2,1-3H3.
What are the key properties of N-[(2,5-dimethylphenyl)-phenylmethyl]-N-methylazetidin-3-amine?
N-[(2,5-dimethylphenyl)-phenylmethyl]-N-methylazetidin-3-amine has a molecular weight of 280.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)-phenylmethyl]-N-methylazetidin-3-amine is sourced from PubChem (CID 66188467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).