3-(anilinomethyl)-N-cyclopropyl-N-ethylaniline

C18H22N2 — CID 59542647

IUPAC3-(anilinomethyl)-N-cyclopropyl-N-ethylaniline
SMILESCCN(c1cccc(CNc2ccccc2)c1)C1CC1
InChIInChI=1S/C18H22N2/c1-2-20(17-11-12-17)18-10-6-7-15(13-18)14-19-16-8-4-3-5-9-16/h3-10,13,17,19H,2,11-12,14H2,1H3
InChIKeyOFPSOFRBGMVCSQ-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.29
Rot. Bonds6

About 3-(anilinomethyl)-N-cyclopropyl-N-ethylaniline

3-(anilinomethyl)-N-cyclopropyl-N-ethylaniline (PubChem CID 59542647) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-(anilinomethyl)-N-cyclopropyl-N-ethylaniline.

Molecular Properties

Compound Name3-(anilinomethyl)-N-cyclopropyl-N-ethylaniline
PubChem CID59542647
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name3-(anilinomethyl)-N-cyclopropyl-N-ethylaniline
SMILESCCN(c1cccc(CNc2ccccc2)c1)C1CC1
InChIInChI=1S/C18H22N2/c1-2-20(17-11-12-17)18-10-6-7-15(13-18)14-19-16-8-4-3-5-9-16/h3-10,13,17,19H,2,11-12,14H2,1H3
InChIKeyOFPSOFRBGMVCSQ-UHFFFAOYSA-N
XLogP4.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(anilinomethyl)-N-cyclopropyl-N-ethylaniline?
The IUPAC name of 3-(anilinomethyl)-N-cyclopropyl-N-ethylaniline (CID 59542647) is 3-(anilinomethyl)-N-cyclopropyl-N-ethylaniline.
What is the SMILES notation for 3-(anilinomethyl)-N-cyclopropyl-N-ethylaniline?
The canonical SMILES for 3-(anilinomethyl)-N-cyclopropyl-N-ethylaniline is CCN(c1cccc(CNc2ccccc2)c1)C1CC1.
What is the InChIKey of 3-(anilinomethyl)-N-cyclopropyl-N-ethylaniline?
The InChIKey is OFPSOFRBGMVCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-2-20(17-11-12-17)18-10-6-7-15(13-18)14-19-16-8-4-3-5-9-16/h3-10,13,17,19H,2,11-12,14H2,1H3.
What are the key properties of 3-(anilinomethyl)-N-cyclopropyl-N-ethylaniline?
3-(anilinomethyl)-N-cyclopropyl-N-ethylaniline has a molecular weight of 266.39 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(anilinomethyl)-N-cyclopropyl-N-ethylaniline is sourced from PubChem (CID 59542647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).