7-chloro-N-(3-ethylphenyl)-1,2,3,4-tetrahydroacridin-9-amine

C21H21ClN2 — CID 20858368

IUPAC7-chloro-N-(3-ethylphenyl)-1,2,3,4-tetrahydroacridin-9-amine
SMILESCCc1cccc(Nc2c3c(nc4ccc(Cl)cc24)CCCC3)c1
InChIInChI=1S/C21H21ClN2/c1-2-14-6-5-7-16(12-14)23-21-17-8-3-4-9-19(17)24-20-11-10-15(22)13-18(20)21/h5-7,10-13H,2-4,8-9H2,1H3,(H,23,24)
InChIKeyTYJJWZBOXZHDML-UHFFFAOYSA-N
MW336.87 g/mol
LogP6.07
Rot. Bonds3

About 7-chloro-N-(3-ethylphenyl)-1,2,3,4-tetrahydroacridin-9-amine

7-chloro-N-(3-ethylphenyl)-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 20858368) has the molecular formula C21H21ClN2 and a molecular weight of 336.87 g/mol. Its IUPAC name is 7-chloro-N-(3-ethylphenyl)-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name7-chloro-N-(3-ethylphenyl)-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID20858368
Molecular FormulaC21H21ClN2
Molecular Weight336.87 g/mol
Exact Mass336.14
IUPAC Name7-chloro-N-(3-ethylphenyl)-1,2,3,4-tetrahydroacridin-9-amine
SMILESCCc1cccc(Nc2c3c(nc4ccc(Cl)cc24)CCCC3)c1
InChIInChI=1S/C21H21ClN2/c1-2-14-6-5-7-16(12-14)23-21-17-8-3-4-9-19(17)24-20-11-10-15(22)13-18(20)21/h5-7,10-13H,2-4,8-9H2,1H3,(H,23,24)
InChIKeyTYJJWZBOXZHDML-UHFFFAOYSA-N
XLogP6.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.87
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3-ethylphenyl)-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 7-chloro-N-(3-ethylphenyl)-1,2,3,4-tetrahydroacridin-9-amine (CID 20858368) is 7-chloro-N-(3-ethylphenyl)-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 7-chloro-N-(3-ethylphenyl)-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 7-chloro-N-(3-ethylphenyl)-1,2,3,4-tetrahydroacridin-9-amine is CCc1cccc(Nc2c3c(nc4ccc(Cl)cc24)CCCC3)c1.
What is the InChIKey of 7-chloro-N-(3-ethylphenyl)-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is TYJJWZBOXZHDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2/c1-2-14-6-5-7-16(12-14)23-21-17-8-3-4-9-19(17)24-20-11-10-15(22)13-18(20)21/h5-7,10-13H,2-4,8-9H2,1H3,(H,23,24).
What are the key properties of 7-chloro-N-(3-ethylphenyl)-1,2,3,4-tetrahydroacridin-9-amine?
7-chloro-N-(3-ethylphenyl)-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 336.87 g/mol, XLogP of 6.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3-ethylphenyl)-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 20858368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).