2-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)ethanamine

C14H15N — CID 145163333

IUPAC2-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)ethanamine
SMILESNCCc1cc2c(c3ccccc13)CC2
InChIInChI=1S/C14H15N/c15-8-7-11-9-10-5-6-13(10)14-4-2-1-3-12(11)14/h1-4,9H,5-8,15H2
InChIKeyNKQQBJHVOVHGLM-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.44
Rot. Bonds2

About 2-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)ethanamine

2-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)ethanamine (PubChem CID 145163333) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)ethanamine
PubChem CID145163333
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name2-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)ethanamine
SMILESNCCc1cc2c(c3ccccc13)CC2
InChIInChI=1S/C14H15N/c15-8-7-11-9-10-5-6-13(10)14-4-2-1-3-12(11)14/h1-4,9H,5-8,15H2
InChIKeyNKQQBJHVOVHGLM-UHFFFAOYSA-N
XLogP2.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenyl-1,2-dihydrocyclobuta[a]naphthalene
CID 163649392
2-(3-phenylnaphthalen-1-yl)ethanamine
CID 22133309
2-[3-(2-aminoethyl)naphthalen-2-yl]ethanamine
CID 170886565
2-(4-phenylnaphthalen-1-yl)ethanamine
CID 97356320
2-[4-[3-(2-aminoethyl)-2-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-yl]ethanamine
CID 170886487
2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790
1-(2-aminoethyl)naphthalen-2-amine
CID 57093964
2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 117283969
2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamine
CID 84786382
2-(1-benzoselenophen-3-yl)ethanamine
CID 167469332
2,4-dihydro-1H-picen-3-one
CID 91098928
11-butyl-1,2,3,4-tetrahydrochrysene
CID 625666

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)ethanamine?
The IUPAC name of 2-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)ethanamine (CID 145163333) is 2-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)ethanamine.
What is the SMILES notation for 2-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)ethanamine?
The canonical SMILES for 2-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)ethanamine is NCCc1cc2c(c3ccccc13)CC2.
What is the InChIKey of 2-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)ethanamine?
The InChIKey is NKQQBJHVOVHGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c15-8-7-11-9-10-5-6-13(10)14-4-2-1-3-12(11)14/h1-4,9H,5-8,15H2.
What are the key properties of 2-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)ethanamine?
2-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)ethanamine has a molecular weight of 197.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)ethanamine is sourced from PubChem (CID 145163333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).