ethane;6-methylphenanthren-3-amine

C17H19N — CID 144939359

IUPACethane;6-methylphenanthren-3-amine
SMILESCC.Cc1ccc2ccc3ccc(N)cc3c2c1
InChIInChI=1S/C15H13N.C2H6/c1-10-2-3-11-4-5-12-6-7-13(16)9-15(12)14(11)8-10;1-2/h2-9H,16H2,1H3;1-2H3
InChIKeyYCQGCMMXIVMFLA-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.91
Rot. Bonds

About ethane;6-methylphenanthren-3-amine

ethane;6-methylphenanthren-3-amine (PubChem CID 144939359) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is ethane;6-methylphenanthren-3-amine.

Molecular Properties

Compound Nameethane;6-methylphenanthren-3-amine
PubChem CID144939359
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Nameethane;6-methylphenanthren-3-amine
SMILESCC.Cc1ccc2ccc3ccc(N)cc3c2c1
InChIInChI=1S/C15H13N.C2H6/c1-10-2-3-11-4-5-12-6-7-13(16)9-15(12)14(11)8-10;1-2/h2-9H,16H2,1H3;1-2H3
InChIKeyYCQGCMMXIVMFLA-UHFFFAOYSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,9-dimethylnaphtho[1,2-b]phenanthrene
CID 58426646
2,9-dimethylnaphtho[1,2-b]phenanthrene;3,10-dimethylnaphtho[1,2-b]phenanthrene
CID 164992833
8-methyl-5,11-dihydroindolo[3,2-b]carbazol-2-amine
CID 123384681
6-bromophenanthren-3-amine
CID 163359562
ethane;3-methyl-6-propan-2-ylphenanthrene
CID 145088146
7-methylisoquinolin-1-amine
CID 18727905
1,6-dimethylphenanthrene;ethane
CID 144939314
2,7-dimethylphenanthrene;ethane
CID 91503011
naphthalene-1,2,7-triamine
CID 19078044
7-methylisoquinolin-1-amine;propane
CID 142933220
1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine
CID 11266515
1,3-dimethylisoquinolin-7-amine
CID 174772287

Frequently Asked Questions

What is the IUPAC name of ethane;6-methylphenanthren-3-amine?
The IUPAC name of ethane;6-methylphenanthren-3-amine (CID 144939359) is ethane;6-methylphenanthren-3-amine.
What is the SMILES notation for ethane;6-methylphenanthren-3-amine?
The canonical SMILES for ethane;6-methylphenanthren-3-amine is CC.Cc1ccc2ccc3ccc(N)cc3c2c1.
What is the InChIKey of ethane;6-methylphenanthren-3-amine?
The InChIKey is YCQGCMMXIVMFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N.C2H6/c1-10-2-3-11-4-5-12-6-7-13(16)9-15(12)14(11)8-10;1-2/h2-9H,16H2,1H3;1-2H3.
What are the key properties of ethane;6-methylphenanthren-3-amine?
ethane;6-methylphenanthren-3-amine has a molecular weight of 237.35 g/mol, XLogP of 4.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methylphenanthren-3-amine is sourced from PubChem (CID 144939359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).