1,9,10,10a-tetrahydrophenanthren-9-amine

C14H15N — CID 70670077

IUPAC1,9,10,10a-tetrahydrophenanthren-9-amine
SMILESNC1CC2CC=CC=C2c2ccccc21
InChIInChI=1S/C14H15N/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-4,6-8,10,14H,5,9,15H2
InChIKeyLLANNOYTRIUAQU-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.05
Rot. Bonds

About 1,9,10,10a-tetrahydrophenanthren-9-amine

1,9,10,10a-tetrahydrophenanthren-9-amine (PubChem CID 70670077) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 1,9,10,10a-tetrahydrophenanthren-9-amine.

Molecular Properties

Compound Name1,9,10,10a-tetrahydrophenanthren-9-amine
PubChem CID70670077
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name1,9,10,10a-tetrahydrophenanthren-9-amine
SMILESNC1CC2CC=CC=C2c2ccccc21
InChIInChI=1S/C14H15N/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-4,6-8,10,14H,5,9,15H2
InChIKeyLLANNOYTRIUAQU-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,9,10,10a-tetrahydrophenanthren-9-amine?
The IUPAC name of 1,9,10,10a-tetrahydrophenanthren-9-amine (CID 70670077) is 1,9,10,10a-tetrahydrophenanthren-9-amine.
What is the SMILES notation for 1,9,10,10a-tetrahydrophenanthren-9-amine?
The canonical SMILES for 1,9,10,10a-tetrahydrophenanthren-9-amine is NC1CC2CC=CC=C2c2ccccc21.
What is the InChIKey of 1,9,10,10a-tetrahydrophenanthren-9-amine?
The InChIKey is LLANNOYTRIUAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-4,6-8,10,14H,5,9,15H2.
What are the key properties of 1,9,10,10a-tetrahydrophenanthren-9-amine?
1,9,10,10a-tetrahydrophenanthren-9-amine has a molecular weight of 197.28 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9,10,10a-tetrahydrophenanthren-9-amine is sourced from PubChem (CID 70670077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).