1-(2-aminoethyl)naphthalen-2-amine

C12H14N2 — CID 57093964

IUPAC1-(2-aminoethyl)naphthalen-2-amine
SMILESNCCc1c(N)ccc2ccccc12
InChIInChI=1S/C12H14N2/c13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)14/h1-6H,7-8,13-14H2
InChIKeySHZZDJYPXCODKF-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.92
Rot. Bonds2

About 1-(2-aminoethyl)naphthalen-2-amine

1-(2-aminoethyl)naphthalen-2-amine (PubChem CID 57093964) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-(2-aminoethyl)naphthalen-2-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)naphthalen-2-amine
PubChem CID57093964
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-(2-aminoethyl)naphthalen-2-amine
SMILESNCCc1c(N)ccc2ccccc12
InChIInChI=1S/C12H14N2/c13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)14/h1-6H,7-8,13-14H2
InChIKeySHZZDJYPXCODKF-UHFFFAOYSA-N
XLogP1.92
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-aminoethyl)naphthalen-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-aminonaphthalen-1-yl)acetonitrile
CID 119016645
2-(2-phenylmethoxynaphthalen-1-yl)ethanamine
CID 60905443
1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride
CID 139641730
naphthalen-1-amine;2-phenylethanamine
CID 175144092
CID 174017027
CID 174017027
1-phosphanylnaphthalen-2-amine
CID 15207058
2-[2-(cyclopropylmethoxy)naphthalen-1-yl]ethanamine
CID 54930636
2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine
CID 54930367
2-[2-(2-bromoprop-2-enoxy)naphthalen-1-yl]ethanamine
CID 54930321
2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine
CID 115943256
2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine
CID 106455544
1-octylanthracen-2-amine
CID 87887472

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)naphthalen-2-amine?
The IUPAC name of 1-(2-aminoethyl)naphthalen-2-amine (CID 57093964) is 1-(2-aminoethyl)naphthalen-2-amine.
What is the SMILES notation for 1-(2-aminoethyl)naphthalen-2-amine?
The canonical SMILES for 1-(2-aminoethyl)naphthalen-2-amine is NCCc1c(N)ccc2ccccc12.
What is the InChIKey of 1-(2-aminoethyl)naphthalen-2-amine?
The InChIKey is SHZZDJYPXCODKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)14/h1-6H,7-8,13-14H2.
What are the key properties of 1-(2-aminoethyl)naphthalen-2-amine?
1-(2-aminoethyl)naphthalen-2-amine has a molecular weight of 186.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)naphthalen-2-amine is sourced from PubChem (CID 57093964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).