2-chloro-N-[[4-[(2-chloroanilino)methyl]cyclohexyl]methyl]aniline

C20H24Cl2N2 — CID 56607143

IUPAC2-chloro-N-[[4-[(2-chloroanilino)methyl]cyclohexyl]methyl]aniline
SMILESClc1ccccc1NCC1CCC(CNc2ccccc2Cl)CC1
InChIInChI=1S/C20H24Cl2N2/c21-17-5-1-3-7-19(17)23-13-15-9-11-16(12-10-15)14-24-20-8-4-2-6-18(20)22/h1-8,15-16,23-24H,9-14H2
InChIKeyZQTFMFJWFRYWLT-UHFFFAOYSA-N
MW363.33 g/mol
LogP6.32
Rot. Bonds6

About 2-chloro-N-[[4-[(2-chloroanilino)methyl]cyclohexyl]methyl]aniline

2-chloro-N-[[4-[(2-chloroanilino)methyl]cyclohexyl]methyl]aniline (PubChem CID 56607143) has the molecular formula C20H24Cl2N2 and a molecular weight of 363.33 g/mol. Its IUPAC name is 2-chloro-N-[[4-[(2-chloroanilino)methyl]cyclohexyl]methyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[[4-[(2-chloroanilino)methyl]cyclohexyl]methyl]aniline
PubChem CID56607143
Molecular FormulaC20H24Cl2N2
Molecular Weight363.33 g/mol
Exact Mass362.13
IUPAC Name2-chloro-N-[[4-[(2-chloroanilino)methyl]cyclohexyl]methyl]aniline
SMILESClc1ccccc1NCC1CCC(CNc2ccccc2Cl)CC1
InChIInChI=1S/C20H24Cl2N2/c21-17-5-1-3-7-19(17)23-13-15-9-11-16(12-10-15)14-24-20-8-4-2-6-18(20)22/h1-8,15-16,23-24H,9-14H2
InChIKeyZQTFMFJWFRYWLT-UHFFFAOYSA-N
XLogP6.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.33
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-[(2-chloroanilino)methyl]cyclohexyl]methyl]aniline?
The IUPAC name of 2-chloro-N-[[4-[(2-chloroanilino)methyl]cyclohexyl]methyl]aniline (CID 56607143) is 2-chloro-N-[[4-[(2-chloroanilino)methyl]cyclohexyl]methyl]aniline.
What is the SMILES notation for 2-chloro-N-[[4-[(2-chloroanilino)methyl]cyclohexyl]methyl]aniline?
The canonical SMILES for 2-chloro-N-[[4-[(2-chloroanilino)methyl]cyclohexyl]methyl]aniline is Clc1ccccc1NCC1CCC(CNc2ccccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[[4-[(2-chloroanilino)methyl]cyclohexyl]methyl]aniline?
The InChIKey is ZQTFMFJWFRYWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2/c21-17-5-1-3-7-19(17)23-13-15-9-11-16(12-10-15)14-24-20-8-4-2-6-18(20)22/h1-8,15-16,23-24H,9-14H2.
What are the key properties of 2-chloro-N-[[4-[(2-chloroanilino)methyl]cyclohexyl]methyl]aniline?
2-chloro-N-[[4-[(2-chloroanilino)methyl]cyclohexyl]methyl]aniline has a molecular weight of 363.33 g/mol, XLogP of 6.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-[(2-chloroanilino)methyl]cyclohexyl]methyl]aniline is sourced from PubChem (CID 56607143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).