2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine

C14H19N — CID 15657682

IUPAC2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
SMILESNC12CCCCC1CCc1ccccc12
InChIInChI=1S/C14H19N/c15-14-10-4-3-6-12(14)9-8-11-5-1-2-7-13(11)14/h1-2,5,7,12H,3-4,6,8-10,15H2
InChIKeyOTEQTANHGJAIKB-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.98
Rot. Bonds

About 2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine

2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine (PubChem CID 15657682) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine.

Molecular Properties

Compound Name2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
PubChem CID15657682
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
SMILESNC12CCCCC1CCc1ccccc12
InChIInChI=1S/C14H19N/c15-14-10-4-3-6-12(14)9-8-11-5-1-2-7-13(11)14/h1-2,5,7,12H,3-4,6,8-10,15H2
InChIKeyOTEQTANHGJAIKB-UHFFFAOYSA-N
XLogP2.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
The IUPAC name of 2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine (CID 15657682) is 2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine.
What is the SMILES notation for 2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
The canonical SMILES for 2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine is NC12CCCCC1CCc1ccccc12.
What is the InChIKey of 2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
The InChIKey is OTEQTANHGJAIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c15-14-10-4-3-6-12(14)9-8-11-5-1-2-7-13(11)14/h1-2,5,7,12H,3-4,6,8-10,15H2.
What are the key properties of 2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine has a molecular weight of 201.31 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine is sourced from PubChem (CID 15657682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).