N-methyl-N-(5-methylnaphthalen-2-yl)anthracen-9-amine

C26H21N — CID 144939685

IUPACN-methyl-N-(5-methylnaphthalen-2-yl)anthracen-9-amine
SMILESCc1cccc2cc(N(C)c3c4ccccc4cc4ccccc34)ccc12
InChIInChI=1S/C26H21N/c1-18-8-7-11-21-17-22(14-15-23(18)21)27(2)26-24-12-5-3-9-19(24)16-20-10-4-6-13-25(20)26/h3-17H,1-2H3
InChIKeyZDVRGSIGYGOPFL-UHFFFAOYSA-N
MW347.46 g/mol
LogP7.22
Rot. Bonds2

About N-methyl-N-(5-methylnaphthalen-2-yl)anthracen-9-amine

N-methyl-N-(5-methylnaphthalen-2-yl)anthracen-9-amine (PubChem CID 144939685) has the molecular formula C26H21N and a molecular weight of 347.46 g/mol. Its IUPAC name is N-methyl-N-(5-methylnaphthalen-2-yl)anthracen-9-amine.

Molecular Properties

Compound NameN-methyl-N-(5-methylnaphthalen-2-yl)anthracen-9-amine
PubChem CID144939685
Molecular FormulaC26H21N
Molecular Weight347.46 g/mol
Exact Mass347.17
IUPAC NameN-methyl-N-(5-methylnaphthalen-2-yl)anthracen-9-amine
SMILESCc1cccc2cc(N(C)c3c4ccccc4cc4ccccc34)ccc12
InChIInChI=1S/C26H21N/c1-18-8-7-11-21-17-22(14-15-23(18)21)27(2)26-24-12-5-3-9-19(24)16-20-10-4-6-13-25(20)26/h3-17H,1-2H3
InChIKeyZDVRGSIGYGOPFL-UHFFFAOYSA-N
XLogP7.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-phenylanthracen-9-amine
CID 22944738
1-N-methyl-1-N-(4-methylanthracen-9-yl)-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine
CID 89265087
N,N-diethyl-5-methylnaphthalen-2-amine
CID 22944612
N-methyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anthracen-9-amine;N-methyl-3-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N-methyl-4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 158086380
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylanthracen-9-amine
CID 59431812
1-N-anthracen-2-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-4-N-phenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine
CID 158312498
1-N-anthracen-2-yl-1-N-methyl-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-phenyl-1-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 159221437
1-N-anthracen-9-yl-1-N-methyl-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 59431779
N-methyl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]anthracen-2-amine;N-methyl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]anthracen-9-amine
CID 158787356
N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-2-amine;N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-9-amine
CID 158426731
N-methyl-N-(2,3,5,6-tetramethylphenyl)naphthalen-2-amine
CID 163608925
N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-methylanthracen-9-amine;N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[4-(N-methyl-4-phenylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 160818621

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-methylnaphthalen-2-yl)anthracen-9-amine?
The IUPAC name of N-methyl-N-(5-methylnaphthalen-2-yl)anthracen-9-amine (CID 144939685) is N-methyl-N-(5-methylnaphthalen-2-yl)anthracen-9-amine.
What is the SMILES notation for N-methyl-N-(5-methylnaphthalen-2-yl)anthracen-9-amine?
The canonical SMILES for N-methyl-N-(5-methylnaphthalen-2-yl)anthracen-9-amine is Cc1cccc2cc(N(C)c3c4ccccc4cc4ccccc34)ccc12.
What is the InChIKey of N-methyl-N-(5-methylnaphthalen-2-yl)anthracen-9-amine?
The InChIKey is ZDVRGSIGYGOPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N/c1-18-8-7-11-21-17-22(14-15-23(18)21)27(2)26-24-12-5-3-9-19(24)16-20-10-4-6-13-25(20)26/h3-17H,1-2H3.
What are the key properties of N-methyl-N-(5-methylnaphthalen-2-yl)anthracen-9-amine?
N-methyl-N-(5-methylnaphthalen-2-yl)anthracen-9-amine has a molecular weight of 347.46 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-methylnaphthalen-2-yl)anthracen-9-amine is sourced from PubChem (CID 144939685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).