3-chloro-9,9,10,10-tetramethyl-N-(4-methylphenyl)anthracen-2-amine

C25H26ClN — CID 163213279

IUPAC3-chloro-9,9,10,10-tetramethyl-N-(4-methylphenyl)anthracen-2-amine
SMILESCc1ccc(Nc2cc3c(cc2Cl)C(C)(C)c2ccccc2C3(C)C)cc1
InChIInChI=1S/C25H26ClN/c1-16-10-12-17(13-11-16)27-23-15-21-20(14-22(23)26)24(2,3)18-8-6-7-9-19(18)25(21,4)5/h6-15,27H,1-5H3
InChIKeyQSKXRVNEPCZYFU-UHFFFAOYSA-N
MW375.94 g/mol
LogP7.36
Rot. Bonds2

About 3-chloro-9,9,10,10-tetramethyl-N-(4-methylphenyl)anthracen-2-amine

3-chloro-9,9,10,10-tetramethyl-N-(4-methylphenyl)anthracen-2-amine (PubChem CID 163213279) has the molecular formula C25H26ClN and a molecular weight of 375.94 g/mol. Its IUPAC name is 3-chloro-9,9,10,10-tetramethyl-N-(4-methylphenyl)anthracen-2-amine.

Molecular Properties

Compound Name3-chloro-9,9,10,10-tetramethyl-N-(4-methylphenyl)anthracen-2-amine
PubChem CID163213279
Molecular FormulaC25H26ClN
Molecular Weight375.94 g/mol
Exact Mass375.18
IUPAC Name3-chloro-9,9,10,10-tetramethyl-N-(4-methylphenyl)anthracen-2-amine
SMILESCc1ccc(Nc2cc3c(cc2Cl)C(C)(C)c2ccccc2C3(C)C)cc1
InChIInChI=1S/C25H26ClN/c1-16-10-12-17(13-11-16)27-23-15-21-20(14-22(23)26)24(2,3)18-8-6-7-9-19(18)25(21,4)5/h6-15,27H,1-5H3
InChIKeyQSKXRVNEPCZYFU-UHFFFAOYSA-N
XLogP7.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.94
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-9,9,10,10-tetramethyl-N-(4-methylphenyl)anthracen-2-amine?
The IUPAC name of 3-chloro-9,9,10,10-tetramethyl-N-(4-methylphenyl)anthracen-2-amine (CID 163213279) is 3-chloro-9,9,10,10-tetramethyl-N-(4-methylphenyl)anthracen-2-amine.
What is the SMILES notation for 3-chloro-9,9,10,10-tetramethyl-N-(4-methylphenyl)anthracen-2-amine?
The canonical SMILES for 3-chloro-9,9,10,10-tetramethyl-N-(4-methylphenyl)anthracen-2-amine is Cc1ccc(Nc2cc3c(cc2Cl)C(C)(C)c2ccccc2C3(C)C)cc1.
What is the InChIKey of 3-chloro-9,9,10,10-tetramethyl-N-(4-methylphenyl)anthracen-2-amine?
The InChIKey is QSKXRVNEPCZYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN/c1-16-10-12-17(13-11-16)27-23-15-21-20(14-22(23)26)24(2,3)18-8-6-7-9-19(18)25(21,4)5/h6-15,27H,1-5H3.
What are the key properties of 3-chloro-9,9,10,10-tetramethyl-N-(4-methylphenyl)anthracen-2-amine?
3-chloro-9,9,10,10-tetramethyl-N-(4-methylphenyl)anthracen-2-amine has a molecular weight of 375.94 g/mol, XLogP of 7.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-9,9,10,10-tetramethyl-N-(4-methylphenyl)anthracen-2-amine is sourced from PubChem (CID 163213279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).