1-[1-(2-aminonaphthalen-1-yl)ethyl]naphthalen-2-amine

C22H20N2 — CID 139712413

IUPAC1-[1-(2-aminonaphthalen-1-yl)ethyl]naphthalen-2-amine
SMILESCC(c1c(N)ccc2ccccc12)c1c(N)ccc2ccccc12
InChIInChI=1S/C22H20N2/c1-14(21-17-8-4-2-6-15(17)10-12-19(21)23)22-18-9-5-3-7-16(18)11-13-20(22)24/h2-14H,23-24H2,1H3
InChIKeyQGONCSVVPRDKDJ-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.31
Rot. Bonds2

About 1-[1-(2-aminonaphthalen-1-yl)ethyl]naphthalen-2-amine

1-[1-(2-aminonaphthalen-1-yl)ethyl]naphthalen-2-amine (PubChem CID 139712413) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[1-(2-aminonaphthalen-1-yl)ethyl]naphthalen-2-amine.

Molecular Properties

Compound Name1-[1-(2-aminonaphthalen-1-yl)ethyl]naphthalen-2-amine
PubChem CID139712413
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name1-[1-(2-aminonaphthalen-1-yl)ethyl]naphthalen-2-amine
SMILESCC(c1c(N)ccc2ccccc12)c1c(N)ccc2ccccc12
InChIInChI=1S/C22H20N2/c1-14(21-17-8-4-2-6-15(17)10-12-19(21)23)22-18-9-5-3-7-16(18)11-13-20(22)24/h2-14H,23-24H2,1H3
InChIKeyQGONCSVVPRDKDJ-UHFFFAOYSA-N
XLogP5.31
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride
CID 139641730
2-aminonaphthalen-1-ol;ethane
CID 143085377
1-phosphanylnaphthalen-2-amine
CID 15207058
CID 174017027
CID 174017027
azane;1,2-di(propan-2-yl)naphthalene
CID 172719874
1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
1-[(1R)-1-amino-2-methylpropyl]naphthalen-2-ol
CID 39345560
(R)-(4-amino-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanol
CID 100804222
1,2-di(propan-2-yl)naphthalene;hydrogen peroxide
CID 19002409
1-N,1-N-dimethylnaphthalene-1,2-diamine;hydrochloride
CID 175607443
1-[(1S)-1-hydroxyethyl]naphthalen-2-ol
CID 95420538

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminonaphthalen-1-yl)ethyl]naphthalen-2-amine?
The IUPAC name of 1-[1-(2-aminonaphthalen-1-yl)ethyl]naphthalen-2-amine (CID 139712413) is 1-[1-(2-aminonaphthalen-1-yl)ethyl]naphthalen-2-amine.
What is the SMILES notation for 1-[1-(2-aminonaphthalen-1-yl)ethyl]naphthalen-2-amine?
The canonical SMILES for 1-[1-(2-aminonaphthalen-1-yl)ethyl]naphthalen-2-amine is CC(c1c(N)ccc2ccccc12)c1c(N)ccc2ccccc12.
What is the InChIKey of 1-[1-(2-aminonaphthalen-1-yl)ethyl]naphthalen-2-amine?
The InChIKey is QGONCSVVPRDKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-14(21-17-8-4-2-6-15(17)10-12-19(21)23)22-18-9-5-3-7-16(18)11-13-20(22)24/h2-14H,23-24H2,1H3.
What are the key properties of 1-[1-(2-aminonaphthalen-1-yl)ethyl]naphthalen-2-amine?
1-[1-(2-aminonaphthalen-1-yl)ethyl]naphthalen-2-amine has a molecular weight of 312.42 g/mol, XLogP of 5.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminonaphthalen-1-yl)ethyl]naphthalen-2-amine is sourced from PubChem (CID 139712413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).