2-(1,2-dihydroacenaphthylen-5-yl)aniline

C18H15N — CID 114939446

IUPAC2-(1,2-dihydroacenaphthylen-5-yl)aniline
SMILESNc1ccccc1-c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C18H15N/c19-17-7-2-1-5-15(17)14-11-10-13-9-8-12-4-3-6-16(14)18(12)13/h1-7,10-11H,8-9,19H2
InChIKeyYBIBZJPZPSKCIW-UHFFFAOYSA-N
MW245.33 g/mol
LogP4.19
Rot. Bonds1

About 2-(1,2-dihydroacenaphthylen-5-yl)aniline

2-(1,2-dihydroacenaphthylen-5-yl)aniline (PubChem CID 114939446) has the molecular formula C18H15N and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(1,2-dihydroacenaphthylen-5-yl)aniline.

Molecular Properties

Compound Name2-(1,2-dihydroacenaphthylen-5-yl)aniline
PubChem CID114939446
Molecular FormulaC18H15N
Molecular Weight245.33 g/mol
Exact Mass245.12
IUPAC Name2-(1,2-dihydroacenaphthylen-5-yl)aniline
SMILESNc1ccccc1-c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C18H15N/c19-17-7-2-1-5-15(17)14-11-10-13-9-8-12-4-3-6-16(14)18(12)13/h1-7,10-11H,8-9,19H2
InChIKeyYBIBZJPZPSKCIW-UHFFFAOYSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2-dihydroacenaphthylen-5-yl)pyridin-3-amine
CID 114939428
2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 69242330
4-(1,2-dihydroacenaphthylen-5-yl)pyridin-2-amine
CID 102821966
5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene
CID 122402189
9,10-dihydrophenanthren-4-amine
CID 12836481
(2-aminophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanone
CID 114939814
[4-chloro-2-(1,2-dihydroacenaphthylen-5-yl)phenyl]methanamine
CID 114939497
4-(1,2-dihydroacenaphthylen-5-yl)-1,3-thiazole
CID 5202950
2-dibenzofuran-1-ylaniline
CID 138698486
1-(4-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine
CID 54566292
(1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine
CID 66510294
1,2-dihydroacenaphthylen-5-ylthiourea
CID 851719

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroacenaphthylen-5-yl)aniline?
The IUPAC name of 2-(1,2-dihydroacenaphthylen-5-yl)aniline (CID 114939446) is 2-(1,2-dihydroacenaphthylen-5-yl)aniline.
What is the SMILES notation for 2-(1,2-dihydroacenaphthylen-5-yl)aniline?
The canonical SMILES for 2-(1,2-dihydroacenaphthylen-5-yl)aniline is Nc1ccccc1-c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 2-(1,2-dihydroacenaphthylen-5-yl)aniline?
The InChIKey is YBIBZJPZPSKCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N/c19-17-7-2-1-5-15(17)14-11-10-13-9-8-12-4-3-6-16(14)18(12)13/h1-7,10-11H,8-9,19H2.
What are the key properties of 2-(1,2-dihydroacenaphthylen-5-yl)aniline?
2-(1,2-dihydroacenaphthylen-5-yl)aniline has a molecular weight of 245.33 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroacenaphthylen-5-yl)aniline is sourced from PubChem (CID 114939446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).