chrysen-2-amine

C18H13N — CID 13092

IUPACchrysen-2-amine
SMILESNc1ccc2c(ccc3c4ccccc4ccc23)c1
InChIInChI=1S/C18H13N/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h1-11H,19H2
InChIKeyKSDIHKMNSYWRFB-UHFFFAOYSA-N
MW243.31 g/mol
LogP4.73
Rot. Bonds

About chrysen-2-amine

chrysen-2-amine (PubChem CID 13092) has the molecular formula C18H13N and a molecular weight of 243.31 g/mol. Its IUPAC name is chrysen-2-amine.

Molecular Properties

Compound Namechrysen-2-amine
PubChem CID13092
Molecular FormulaC18H13N
Molecular Weight243.31 g/mol
Exact Mass243.10
IUPAC Namechrysen-2-amine
SMILESNc1ccc2c(ccc3c4ccccc4ccc23)c1
InChIInChI=1S/C18H13N/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h1-11H,19H2
InChIKeyKSDIHKMNSYWRFB-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chrysen-2-amine?
The IUPAC name of chrysen-2-amine (CID 13092) is chrysen-2-amine.
What is the SMILES notation for chrysen-2-amine?
The canonical SMILES for chrysen-2-amine is Nc1ccc2c(ccc3c4ccccc4ccc23)c1.
What is the InChIKey of chrysen-2-amine?
The InChIKey is KSDIHKMNSYWRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h1-11H,19H2.
What are the key properties of chrysen-2-amine?
chrysen-2-amine has a molecular weight of 243.31 g/mol, XLogP of 4.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chrysen-2-amine is sourced from PubChem (CID 13092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).