7,8,9,10-tetrahydrochrysen-2-amine

C18H17N — CID 174397355

IUPAC7,8,9,10-tetrahydrochrysen-2-amine
SMILESNc1ccc2c(ccc3c4c(ccc32)CCCC4)c1
InChIInChI=1S/C18H17N/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h5-11H,1-4,19H2
InChIKeyNFEBQDHWYOOGMW-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.45
Rot. Bonds

About 7,8,9,10-tetrahydrochrysen-2-amine

7,8,9,10-tetrahydrochrysen-2-amine (PubChem CID 174397355) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 7,8,9,10-tetrahydrochrysen-2-amine.

Molecular Properties

Compound Name7,8,9,10-tetrahydrochrysen-2-amine
PubChem CID174397355
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name7,8,9,10-tetrahydrochrysen-2-amine
SMILESNc1ccc2c(ccc3c4c(ccc32)CCCC4)c1
InChIInChI=1S/C18H17N/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h5-11H,1-4,19H2
InChIKeyNFEBQDHWYOOGMW-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.45
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 7,8,9,10-tetrahydrochrysen-2-amine?
The IUPAC name of 7,8,9,10-tetrahydrochrysen-2-amine (CID 174397355) is 7,8,9,10-tetrahydrochrysen-2-amine.
What is the SMILES notation for 7,8,9,10-tetrahydrochrysen-2-amine?
The canonical SMILES for 7,8,9,10-tetrahydrochrysen-2-amine is Nc1ccc2c(ccc3c4c(ccc32)CCCC4)c1.
What is the InChIKey of 7,8,9,10-tetrahydrochrysen-2-amine?
The InChIKey is NFEBQDHWYOOGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h5-11H,1-4,19H2.
What are the key properties of 7,8,9,10-tetrahydrochrysen-2-amine?
7,8,9,10-tetrahydrochrysen-2-amine has a molecular weight of 247.34 g/mol, XLogP of 4.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,10-tetrahydrochrysen-2-amine is sourced from PubChem (CID 174397355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).