4,5-dimethyl-1-naphthalen-1-ylnaphthalene-2,3-diamine

C22H20N2 — CID 172847856

IUPAC4,5-dimethyl-1-naphthalen-1-ylnaphthalene-2,3-diamine
SMILESCc1cccc2c(-c3cccc4ccccc34)c(N)c(N)c(C)c12
InChIInChI=1S/C22H20N2/c1-13-7-5-12-18-19(13)14(2)21(23)22(24)20(18)17-11-6-9-15-8-3-4-10-16(15)17/h3-12H,23-24H2,1-2H3
InChIKeyXRCAUKWIEXOJKK-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.44
Rot. Bonds1

About 4,5-dimethyl-1-naphthalen-1-ylnaphthalene-2,3-diamine

4,5-dimethyl-1-naphthalen-1-ylnaphthalene-2,3-diamine (PubChem CID 172847856) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4,5-dimethyl-1-naphthalen-1-ylnaphthalene-2,3-diamine.

Molecular Properties

Compound Name4,5-dimethyl-1-naphthalen-1-ylnaphthalene-2,3-diamine
PubChem CID172847856
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name4,5-dimethyl-1-naphthalen-1-ylnaphthalene-2,3-diamine
SMILESCc1cccc2c(-c3cccc4ccccc34)c(N)c(N)c(C)c12
InChIInChI=1S/C22H20N2/c1-13-7-5-12-18-19(13)14(2)21(23)22(24)20(18)17-11-6-9-15-8-3-4-10-16(15)17/h3-12H,23-24H2,1-2H3
InChIKeyXRCAUKWIEXOJKK-UHFFFAOYSA-N
XLogP5.44
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.44
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

10-naphthalen-1-ylanthracen-9-amine
CID 126729232
2,3-dimethyl-1-naphthalen-1-ylnaphthalene
CID 54572329
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
4,5-dimethyl-3-naphthalen-1-ylthiophen-2-amine
CID 90878516
1-(2-fluoro-3-methylphenyl)naphthalene
CID 90266560
1-[4-(2,3-dimethylphenyl)phenyl]naphthalene
CID 171799142
1,3-dimethyl-2-naphthalen-1-ylphenanthrene
CID 15440758
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
6,15-bis(2-methylphenyl)-12,22-dinaphthalen-1-ylhexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2(11),3,5,7,9,12,14,16,18,20(22)-undecaene
CID 101396816
3-methyl-4-(2-methylphenyl)phenanthrene
CID 145272616
8-methyl-7,12-diphenylbenzo[k]fluoranthene
CID 154225816
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1-naphthalen-1-ylnaphthalene-2,3-diamine?
The IUPAC name of 4,5-dimethyl-1-naphthalen-1-ylnaphthalene-2,3-diamine (CID 172847856) is 4,5-dimethyl-1-naphthalen-1-ylnaphthalene-2,3-diamine.
What is the SMILES notation for 4,5-dimethyl-1-naphthalen-1-ylnaphthalene-2,3-diamine?
The canonical SMILES for 4,5-dimethyl-1-naphthalen-1-ylnaphthalene-2,3-diamine is Cc1cccc2c(-c3cccc4ccccc34)c(N)c(N)c(C)c12.
What is the InChIKey of 4,5-dimethyl-1-naphthalen-1-ylnaphthalene-2,3-diamine?
The InChIKey is XRCAUKWIEXOJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-13-7-5-12-18-19(13)14(2)21(23)22(24)20(18)17-11-6-9-15-8-3-4-10-16(15)17/h3-12H,23-24H2,1-2H3.
What are the key properties of 4,5-dimethyl-1-naphthalen-1-ylnaphthalene-2,3-diamine?
4,5-dimethyl-1-naphthalen-1-ylnaphthalene-2,3-diamine has a molecular weight of 312.42 g/mol, XLogP of 5.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1-naphthalen-1-ylnaphthalene-2,3-diamine is sourced from PubChem (CID 172847856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).