10-ethyl-6-methyl-1,2,3,4-tetrahydroanthracen-9-amine

C17H21N — CID 142048719

IUPAC10-ethyl-6-methyl-1,2,3,4-tetrahydroanthracen-9-amine
SMILESCCc1c2c(c(N)c3ccc(C)cc13)CCCC2
InChIInChI=1S/C17H21N/c1-3-12-13-6-4-5-7-14(13)17(18)15-9-8-11(2)10-16(12)15/h8-10H,3-7,18H2,1-2H3
InChIKeyGJZYGHOUVHIFLP-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.17
Rot. Bonds1

About 10-ethyl-6-methyl-1,2,3,4-tetrahydroanthracen-9-amine

10-ethyl-6-methyl-1,2,3,4-tetrahydroanthracen-9-amine (PubChem CID 142048719) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 10-ethyl-6-methyl-1,2,3,4-tetrahydroanthracen-9-amine.

Molecular Properties

Compound Name10-ethyl-6-methyl-1,2,3,4-tetrahydroanthracen-9-amine
PubChem CID142048719
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name10-ethyl-6-methyl-1,2,3,4-tetrahydroanthracen-9-amine
SMILESCCc1c2c(c(N)c3ccc(C)cc13)CCCC2
InChIInChI=1S/C17H21N/c1-3-12-13-6-4-5-7-14(13)17(18)15-9-8-11(2)10-16(12)15/h8-10H,3-7,18H2,1-2H3
InChIKeyGJZYGHOUVHIFLP-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 10-ethyl-6-methyl-1,2,3,4-tetrahydroanthracen-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-6-methyl-1,2,3,4-tetrahydroanthracen-9-amine?
The IUPAC name of 10-ethyl-6-methyl-1,2,3,4-tetrahydroanthracen-9-amine (CID 142048719) is 10-ethyl-6-methyl-1,2,3,4-tetrahydroanthracen-9-amine.
What is the SMILES notation for 10-ethyl-6-methyl-1,2,3,4-tetrahydroanthracen-9-amine?
The canonical SMILES for 10-ethyl-6-methyl-1,2,3,4-tetrahydroanthracen-9-amine is CCc1c2c(c(N)c3ccc(C)cc13)CCCC2.
What is the InChIKey of 10-ethyl-6-methyl-1,2,3,4-tetrahydroanthracen-9-amine?
The InChIKey is GJZYGHOUVHIFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-3-12-13-6-4-5-7-14(13)17(18)15-9-8-11(2)10-16(12)15/h8-10H,3-7,18H2,1-2H3.
What are the key properties of 10-ethyl-6-methyl-1,2,3,4-tetrahydroanthracen-9-amine?
10-ethyl-6-methyl-1,2,3,4-tetrahydroanthracen-9-amine has a molecular weight of 239.36 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-6-methyl-1,2,3,4-tetrahydroanthracen-9-amine is sourced from PubChem (CID 142048719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).