4a,10a-dihydrophenanthren-3-amine

C14H13N — CID 155032357

IUPAC4a,10a-dihydrophenanthren-3-amine
SMILESNC1=CC2c3ccccc3C=CC2C=C1
InChIInChI=1S/C14H13N/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9,11,14H,15H2
InChIKeyXOWUKJOOKMFNOD-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.83
Rot. Bonds

About 4a,10a-dihydrophenanthren-3-amine

4a,10a-dihydrophenanthren-3-amine (PubChem CID 155032357) has the molecular formula C14H13N and a molecular weight of 195.26 g/mol. Its IUPAC name is 4a,10a-dihydrophenanthren-3-amine.

Molecular Properties

Compound Name4a,10a-dihydrophenanthren-3-amine
PubChem CID155032357
Molecular FormulaC14H13N
Molecular Weight195.26 g/mol
Exact Mass195.10
IUPAC Name4a,10a-dihydrophenanthren-3-amine
SMILESNC1=CC2c3ccccc3C=CC2C=C1
InChIInChI=1S/C14H13N/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9,11,14H,15H2
InChIKeyXOWUKJOOKMFNOD-UHFFFAOYSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4a,10a-dihydrophenanthren-3-amine?
The IUPAC name of 4a,10a-dihydrophenanthren-3-amine (CID 155032357) is 4a,10a-dihydrophenanthren-3-amine.
What is the SMILES notation for 4a,10a-dihydrophenanthren-3-amine?
The canonical SMILES for 4a,10a-dihydrophenanthren-3-amine is NC1=CC2c3ccccc3C=CC2C=C1.
What is the InChIKey of 4a,10a-dihydrophenanthren-3-amine?
The InChIKey is XOWUKJOOKMFNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9,11,14H,15H2.
What are the key properties of 4a,10a-dihydrophenanthren-3-amine?
4a,10a-dihydrophenanthren-3-amine has a molecular weight of 195.26 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,10a-dihydrophenanthren-3-amine is sourced from PubChem (CID 155032357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).