1-(2-aminonaphthalen-1-yl)-3,4,5,6-tetramethylnaphthalen-2-amine

C24H24N2 — CID 175331689

IUPAC1-(2-aminonaphthalen-1-yl)-3,4,5,6-tetramethylnaphthalen-2-amine
SMILESCc1ccc2c(-c3c(N)ccc4ccccc34)c(N)c(C)c(C)c2c1C
InChIInChI=1S/C24H24N2/c1-13-9-11-19-21(14(13)2)15(3)16(4)24(26)23(19)22-18-8-6-5-7-17(18)10-12-20(22)25/h5-12H,25-26H2,1-4H3
InChIKeyCTFDMJONIMGUCF-UHFFFAOYSA-N
MW340.47 g/mol
LogP6.06
Rot. Bonds1

About 1-(2-aminonaphthalen-1-yl)-3,4,5,6-tetramethylnaphthalen-2-amine

1-(2-aminonaphthalen-1-yl)-3,4,5,6-tetramethylnaphthalen-2-amine (PubChem CID 175331689) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(2-aminonaphthalen-1-yl)-3,4,5,6-tetramethylnaphthalen-2-amine.

Molecular Properties

Compound Name1-(2-aminonaphthalen-1-yl)-3,4,5,6-tetramethylnaphthalen-2-amine
PubChem CID175331689
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name1-(2-aminonaphthalen-1-yl)-3,4,5,6-tetramethylnaphthalen-2-amine
SMILESCc1ccc2c(-c3c(N)ccc4ccccc34)c(N)c(C)c(C)c2c1C
InChIInChI=1S/C24H24N2/c1-13-9-11-19-21(14(13)2)15(3)16(4)24(26)23(19)22-18-8-6-5-7-17(18)10-12-20(22)25/h5-12H,25-26H2,1-4H3
InChIKeyCTFDMJONIMGUCF-UHFFFAOYSA-N
XLogP6.06
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750
1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride
CID 139641730
1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine
CID 11266515
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
1,2-dimethylnaphthalene;ethane
CID 90922397
1,2-dimethylnaphthalene;hydrobromide
CID 174429192
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
1-(2-aminophenyl)naphthalen-2-amine
CID 11424829
2-ethyl-4-(2-methylnaphthalen-1-yl)aniline
CID 81432895
1-(2-amino-7-methylnaphthalen-1-yl)naphthalen-2-ol
CID 162122233
5-methyl-2-(2-methylnaphthalen-1-yl)aniline
CID 82767076
1-(3-methylphenyl)naphthalen-2-amine
CID 141043466

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminonaphthalen-1-yl)-3,4,5,6-tetramethylnaphthalen-2-amine?
The IUPAC name of 1-(2-aminonaphthalen-1-yl)-3,4,5,6-tetramethylnaphthalen-2-amine (CID 175331689) is 1-(2-aminonaphthalen-1-yl)-3,4,5,6-tetramethylnaphthalen-2-amine.
What is the SMILES notation for 1-(2-aminonaphthalen-1-yl)-3,4,5,6-tetramethylnaphthalen-2-amine?
The canonical SMILES for 1-(2-aminonaphthalen-1-yl)-3,4,5,6-tetramethylnaphthalen-2-amine is Cc1ccc2c(-c3c(N)ccc4ccccc34)c(N)c(C)c(C)c2c1C.
What is the InChIKey of 1-(2-aminonaphthalen-1-yl)-3,4,5,6-tetramethylnaphthalen-2-amine?
The InChIKey is CTFDMJONIMGUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-13-9-11-19-21(14(13)2)15(3)16(4)24(26)23(19)22-18-8-6-5-7-17(18)10-12-20(22)25/h5-12H,25-26H2,1-4H3.
What are the key properties of 1-(2-aminonaphthalen-1-yl)-3,4,5,6-tetramethylnaphthalen-2-amine?
1-(2-aminonaphthalen-1-yl)-3,4,5,6-tetramethylnaphthalen-2-amine has a molecular weight of 340.47 g/mol, XLogP of 6.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminonaphthalen-1-yl)-3,4,5,6-tetramethylnaphthalen-2-amine is sourced from PubChem (CID 175331689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).