3,4,5,6-tetrahydrochrysen-3-ylmethanamine

C19H19N — CID 174311075

IUPAC3,4,5,6-tetrahydrochrysen-3-ylmethanamine
SMILESNCC1C=Cc2ccc3c(c2C1)CCc1ccccc1-3
InChIInChI=1S/C19H19N/c20-12-13-5-6-15-8-9-17-16-4-2-1-3-14(16)7-10-18(17)19(15)11-13/h1-6,8-9,13H,7,10-12,20H2
InChIKeyNWWLNLTVWSHBDR-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.60
Rot. Bonds1

About 3,4,5,6-tetrahydrochrysen-3-ylmethanamine

3,4,5,6-tetrahydrochrysen-3-ylmethanamine (PubChem CID 174311075) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 3,4,5,6-tetrahydrochrysen-3-ylmethanamine.

Molecular Properties

Compound Name3,4,5,6-tetrahydrochrysen-3-ylmethanamine
PubChem CID174311075
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name3,4,5,6-tetrahydrochrysen-3-ylmethanamine
SMILESNCC1C=Cc2ccc3c(c2C1)CCc1ccccc1-3
InChIInChI=1S/C19H19N/c20-12-13-5-6-15-8-9-17-16-4-2-1-3-14(16)7-10-18(17)19(15)11-13/h1-6,8-9,13H,7,10-12,20H2
InChIKeyNWWLNLTVWSHBDR-UHFFFAOYSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrahydrochrysen-3-ylmethanamine?
The IUPAC name of 3,4,5,6-tetrahydrochrysen-3-ylmethanamine (CID 174311075) is 3,4,5,6-tetrahydrochrysen-3-ylmethanamine.
What is the SMILES notation for 3,4,5,6-tetrahydrochrysen-3-ylmethanamine?
The canonical SMILES for 3,4,5,6-tetrahydrochrysen-3-ylmethanamine is NCC1C=Cc2ccc3c(c2C1)CCc1ccccc1-3.
What is the InChIKey of 3,4,5,6-tetrahydrochrysen-3-ylmethanamine?
The InChIKey is NWWLNLTVWSHBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c20-12-13-5-6-15-8-9-17-16-4-2-1-3-14(16)7-10-18(17)19(15)11-13/h1-6,8-9,13H,7,10-12,20H2.
What are the key properties of 3,4,5,6-tetrahydrochrysen-3-ylmethanamine?
3,4,5,6-tetrahydrochrysen-3-ylmethanamine has a molecular weight of 261.37 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrahydrochrysen-3-ylmethanamine is sourced from PubChem (CID 174311075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).