(1R)-4,9-dimethyl-1,2,3,4-tetrahydrophenanthren-1-amine

C16H19N — CID 113305819

IUPAC(1R)-4,9-dimethyl-1,2,3,4-tetrahydrophenanthren-1-amine
SMILESCc1cc2c(c3ccccc13)C(C)CC[C@H]2N
InChIInChI=1S/C16H19N/c1-10-7-8-15(17)14-9-11(2)12-5-3-4-6-13(12)16(10)14/h3-6,9-10,15H,7-8,17H2,1-2H3/t10?,15-/m1/s1
InChIKeyYLOTUWZOIVWNBV-GENIYJEYSA-N
MW225.34 g/mol
LogP4.05
Rot. Bonds

About (1R)-4,9-dimethyl-1,2,3,4-tetrahydrophenanthren-1-amine

(1R)-4,9-dimethyl-1,2,3,4-tetrahydrophenanthren-1-amine (PubChem CID 113305819) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is (1R)-4,9-dimethyl-1,2,3,4-tetrahydrophenanthren-1-amine.

Molecular Properties

Compound Name(1R)-4,9-dimethyl-1,2,3,4-tetrahydrophenanthren-1-amine
PubChem CID113305819
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name(1R)-4,9-dimethyl-1,2,3,4-tetrahydrophenanthren-1-amine
SMILESCc1cc2c(c3ccccc13)C(C)CC[C@H]2N
InChIInChI=1S/C16H19N/c1-10-7-8-15(17)14-9-11(2)12-5-3-4-6-13(12)16(10)14/h3-6,9-10,15H,7-8,17H2,1-2H3/t10?,15-/m1/s1
InChIKeyYLOTUWZOIVWNBV-GENIYJEYSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-4,9-dimethyl-1,2,3,4-tetrahydrophenanthren-1-amine?
The IUPAC name of (1R)-4,9-dimethyl-1,2,3,4-tetrahydrophenanthren-1-amine (CID 113305819) is (1R)-4,9-dimethyl-1,2,3,4-tetrahydrophenanthren-1-amine.
What is the SMILES notation for (1R)-4,9-dimethyl-1,2,3,4-tetrahydrophenanthren-1-amine?
The canonical SMILES for (1R)-4,9-dimethyl-1,2,3,4-tetrahydrophenanthren-1-amine is Cc1cc2c(c3ccccc13)C(C)CC[C@H]2N.
What is the InChIKey of (1R)-4,9-dimethyl-1,2,3,4-tetrahydrophenanthren-1-amine?
The InChIKey is YLOTUWZOIVWNBV-GENIYJEYSA-N. The full InChI is InChI=1S/C16H19N/c1-10-7-8-15(17)14-9-11(2)12-5-3-4-6-13(12)16(10)14/h3-6,9-10,15H,7-8,17H2,1-2H3/t10?,15-/m1/s1.
What are the key properties of (1R)-4,9-dimethyl-1,2,3,4-tetrahydrophenanthren-1-amine?
(1R)-4,9-dimethyl-1,2,3,4-tetrahydrophenanthren-1-amine has a molecular weight of 225.34 g/mol, XLogP of 4.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4,9-dimethyl-1,2,3,4-tetrahydrophenanthren-1-amine is sourced from PubChem (CID 113305819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).