(4bS,8aR,9S)-4b-methyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine

C15H21N — CID 124676605

IUPAC(4bS,8aR,9S)-4b-methyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine
SMILESC[C@]12CCCC[C@H]1[C@@H](N)Cc1ccccc12
InChIInChI=1S/C15H21N/c1-15-9-5-4-8-13(15)14(16)10-11-6-2-3-7-12(11)15/h2-3,6-7,13-14H,4-5,8-10,16H2,1H3/t13-,14-,15+/m0/s1
InChIKeyZMQWOXWLXGWFRM-SOUVJXGZSA-N
MW215.34 g/mol
LogP3.02
Rot. Bonds

About (4bS,8aR,9S)-4b-methyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine

(4bS,8aR,9S)-4b-methyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine (PubChem CID 124676605) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (4bS,8aR,9S)-4b-methyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine.

Molecular Properties

Compound Name(4bS,8aR,9S)-4b-methyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine
PubChem CID124676605
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(4bS,8aR,9S)-4b-methyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine
SMILESC[C@]12CCCC[C@H]1[C@@H](N)Cc1ccccc12
InChIInChI=1S/C15H21N/c1-15-9-5-4-8-13(15)14(16)10-11-6-2-3-7-12(11)15/h2-3,6-7,13-14H,4-5,8-10,16H2,1H3/t13-,14-,15+/m0/s1
InChIKeyZMQWOXWLXGWFRM-SOUVJXGZSA-N
XLogP3.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4bS,8aR,9S)-4b-methyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine with MolForge

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Related Compounds

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(1R,9S,15S)-1-methyl-4-phenylmethoxytricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine
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(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene;prop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of (4bS,8aR,9S)-4b-methyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine?
The IUPAC name of (4bS,8aR,9S)-4b-methyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine (CID 124676605) is (4bS,8aR,9S)-4b-methyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine.
What is the SMILES notation for (4bS,8aR,9S)-4b-methyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine?
The canonical SMILES for (4bS,8aR,9S)-4b-methyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine is C[C@]12CCCC[C@H]1[C@@H](N)Cc1ccccc12.
What is the InChIKey of (4bS,8aR,9S)-4b-methyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine?
The InChIKey is ZMQWOXWLXGWFRM-SOUVJXGZSA-N. The full InChI is InChI=1S/C15H21N/c1-15-9-5-4-8-13(15)14(16)10-11-6-2-3-7-12(11)15/h2-3,6-7,13-14H,4-5,8-10,16H2,1H3/t13-,14-,15+/m0/s1.
What are the key properties of (4bS,8aR,9S)-4b-methyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine?
(4bS,8aR,9S)-4b-methyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine has a molecular weight of 215.34 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4bS,8aR,9S)-4b-methyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine is sourced from PubChem (CID 124676605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).