1-(2-methoxynaphthalen-1-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine

C17H24N2O — CID 43380370

IUPAC1-(2-methoxynaphthalen-1-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCOc1ccc2ccccc2c1C(CN)N(C)C(C)C
InChIInChI=1S/C17H24N2O/c1-12(2)19(3)15(11-18)17-14-8-6-5-7-13(14)9-10-16(17)20-4/h5-10,12,15H,11,18H2,1-4H3
InChIKeyXNGVTMNIWXWBCK-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.19
Rot. Bonds5

About 1-(2-methoxynaphthalen-1-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine

1-(2-methoxynaphthalen-1-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 43380370) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(2-methoxynaphthalen-1-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methoxynaphthalen-1-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine
PubChem CID43380370
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(2-methoxynaphthalen-1-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCOc1ccc2ccccc2c1C(CN)N(C)C(C)C
InChIInChI=1S/C17H24N2O/c1-12(2)19(3)15(11-18)17-14-8-6-5-7-13(14)9-10-16(17)20-4/h5-10,12,15H,11,18H2,1-4H3
InChIKeyXNGVTMNIWXWBCK-UHFFFAOYSA-N
XLogP3.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxynaphthalen-1-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxynaphthalen-1-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(2-methoxynaphthalen-1-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine (CID 43380370) is 1-(2-methoxynaphthalen-1-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(2-methoxynaphthalen-1-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(2-methoxynaphthalen-1-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine is COc1ccc2ccccc2c1C(CN)N(C)C(C)C.
What is the InChIKey of 1-(2-methoxynaphthalen-1-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is XNGVTMNIWXWBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(2)19(3)15(11-18)17-14-8-6-5-7-13(14)9-10-16(17)20-4/h5-10,12,15H,11,18H2,1-4H3.
What are the key properties of 1-(2-methoxynaphthalen-1-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine?
1-(2-methoxynaphthalen-1-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 272.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxynaphthalen-1-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 43380370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).