N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]-2,4-dimethylaniline

C19H23ClN2 — CID 142725332

IUPACN-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]-2,4-dimethylaniline
SMILESCc1ccc(N(Cc2ccc(Cl)cc2)CC2CNC2)c(C)c1
InChIInChI=1S/C19H23ClN2/c1-14-3-8-19(15(2)9-14)22(13-17-10-21-11-17)12-16-4-6-18(20)7-5-16/h3-9,17,21H,10-13H2,1-2H3
InChIKeyGOUNNWYLNLOMKU-UHFFFAOYSA-N
MW314.86 g/mol
LogP4.18
Rot. Bonds5

About N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]-2,4-dimethylaniline

N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]-2,4-dimethylaniline (PubChem CID 142725332) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]-2,4-dimethylaniline
PubChem CID142725332
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC NameN-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]-2,4-dimethylaniline
SMILESCc1ccc(N(Cc2ccc(Cl)cc2)CC2CNC2)c(C)c1
InChIInChI=1S/C19H23ClN2/c1-14-3-8-19(15(2)9-14)22(13-17-10-21-11-17)12-16-4-6-18(20)7-5-16/h3-9,17,21H,10-13H2,1-2H3
InChIKeyGOUNNWYLNLOMKU-UHFFFAOYSA-N
XLogP4.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]-2,4-dimethylaniline?
The IUPAC name of N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]-2,4-dimethylaniline (CID 142725332) is N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]-2,4-dimethylaniline.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]-2,4-dimethylaniline?
The canonical SMILES for N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]-2,4-dimethylaniline is Cc1ccc(N(Cc2ccc(Cl)cc2)CC2CNC2)c(C)c1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]-2,4-dimethylaniline?
The InChIKey is GOUNNWYLNLOMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2/c1-14-3-8-19(15(2)9-14)22(13-17-10-21-11-17)12-16-4-6-18(20)7-5-16/h3-9,17,21H,10-13H2,1-2H3.
What are the key properties of N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]-2,4-dimethylaniline?
N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]-2,4-dimethylaniline has a molecular weight of 314.86 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]-2,4-dimethylaniline is sourced from PubChem (CID 142725332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).