6-chloro-N-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine

C21H21ClN2O2 — CID 20859027

IUPAC6-chloro-N-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccc(Nc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1OC
InChIInChI=1S/C21H21ClN2O2/c1-25-19-10-8-14(12-20(19)26-2)23-21-15-5-3-4-6-17(15)24-18-11-13(22)7-9-16(18)21/h7-12H,3-6H2,1-2H3,(H,23,24)
InChIKeyWPVUYOUEZBWHNY-UHFFFAOYSA-N
MW368.86 g/mol
LogP5.53
Rot. Bonds4

About 6-chloro-N-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine

6-chloro-N-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 20859027) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 6-chloro-N-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name6-chloro-N-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID20859027
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name6-chloro-N-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccc(Nc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1OC
InChIInChI=1S/C21H21ClN2O2/c1-25-19-10-8-14(12-20(19)26-2)23-21-15-5-3-4-6-17(15)24-18-11-13(22)7-9-16(18)21/h7-12H,3-6H2,1-2H3,(H,23,24)
InChIKeyWPVUYOUEZBWHNY-UHFFFAOYSA-N
XLogP5.53
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.86
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2-methoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 20859019
2-chloro-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]benzamide
CID 46257075
N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 4060631
(E)-3-(3-chlorophenyl)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]prop-2-enamide
CID 6004990
N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-2-fluorobenzamide
CID 46503428
N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 3658778
N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-4-methoxy-3-nitrobenzamide
CID 46503451
N-(4-chlorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride
CID 2790059
N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 146051450
6-chloro-N-decyl-1,2,3,4-tetrahydroacridin-9-amine
CID 71661697
6-chloro-N-hexyl-1,2,3,4-tetrahydroacridin-9-amine
CID 51040023
7-chloro-N-(3-ethylphenyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 20858368

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 6-chloro-N-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine (CID 20859027) is 6-chloro-N-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 6-chloro-N-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 6-chloro-N-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine is COc1ccc(Nc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1OC.
What is the InChIKey of 6-chloro-N-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is WPVUYOUEZBWHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-25-19-10-8-14(12-20(19)26-2)23-21-15-5-3-4-6-17(15)24-18-11-13(22)7-9-16(18)21/h7-12H,3-6H2,1-2H3,(H,23,24).
What are the key properties of 6-chloro-N-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine?
6-chloro-N-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 368.86 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 20859027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).