4-ethyl-5-ethynyl-6-methylnaphthalen-2-amine

C15H15N — CID 172514429

IUPAC4-ethyl-5-ethynyl-6-methylnaphthalen-2-amine
SMILESC#Cc1c(C)ccc2cc(N)cc(CC)c12
InChIInChI=1S/C15H15N/c1-4-11-8-13(16)9-12-7-6-10(3)14(5-2)15(11)12/h2,6-9H,4,16H2,1,3H3
InChIKeyDSZNNAIWJFJGJK-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.27
Rot. Bonds1

About 4-ethyl-5-ethynyl-6-methylnaphthalen-2-amine

4-ethyl-5-ethynyl-6-methylnaphthalen-2-amine (PubChem CID 172514429) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-ethyl-5-ethynyl-6-methylnaphthalen-2-amine.

Molecular Properties

Compound Name4-ethyl-5-ethynyl-6-methylnaphthalen-2-amine
PubChem CID172514429
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name4-ethyl-5-ethynyl-6-methylnaphthalen-2-amine
SMILESC#Cc1c(C)ccc2cc(N)cc(CC)c12
InChIInChI=1S/C15H15N/c1-4-11-8-13(16)9-12-7-6-10(3)14(5-2)15(11)12/h2,6-9H,4,16H2,1,3H3
InChIKeyDSZNNAIWJFJGJK-UHFFFAOYSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-ethyl-1-ethynyl-2-fluoro-6-methylnaphthalene
CID 170619043
6-amino-8-ethyl-1-methoxynaphthalene-2-carbonitrile;ethane
CID 176951774
3-ethyl-4-methylaniline;hydrochloride
CID 23499109
ethane;5-ethynyl-4-methylnaphthalen-2-amine
CID 166141695
ethane;5-ethyl-6-fluoro-4-methylnaphthalen-2-amine
CID 170624117
2-ethynyl-3,6-dimethylaniline;formonitrile
CID 174764870
4-amino-2,6-diethylbenzonitrile
CID 25067369
7-ethyl-1,2,3,8-tetramethylnaphthalene
CID 162292672
2,6-diethylbenzene-1,4-diamine
CID 10154207
5-[chloro(difluoro)methoxy]-4-ethyl-6-fluoronaphthalen-2-amine;ethane
CID 178101467
8-(1-chloroethenyl)-7-methylnaphthalene-1,3-diamine;ethane;5-ethynyl-6-fluoro-4-methylnaphthalen-2-amine
CID 178161094
1-ethynyl-2,6-dimethylnaphthalene
CID 142157789

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-ethynyl-6-methylnaphthalen-2-amine?
The IUPAC name of 4-ethyl-5-ethynyl-6-methylnaphthalen-2-amine (CID 172514429) is 4-ethyl-5-ethynyl-6-methylnaphthalen-2-amine.
What is the SMILES notation for 4-ethyl-5-ethynyl-6-methylnaphthalen-2-amine?
The canonical SMILES for 4-ethyl-5-ethynyl-6-methylnaphthalen-2-amine is C#Cc1c(C)ccc2cc(N)cc(CC)c12.
What is the InChIKey of 4-ethyl-5-ethynyl-6-methylnaphthalen-2-amine?
The InChIKey is DSZNNAIWJFJGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-4-11-8-13(16)9-12-7-6-10(3)14(5-2)15(11)12/h2,6-9H,4,16H2,1,3H3.
What are the key properties of 4-ethyl-5-ethynyl-6-methylnaphthalen-2-amine?
4-ethyl-5-ethynyl-6-methylnaphthalen-2-amine has a molecular weight of 209.29 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-ethynyl-6-methylnaphthalen-2-amine is sourced from PubChem (CID 172514429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).