N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]propan-2-amine

C16H23NO2 — CID 13340007

IUPACN-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]propan-2-amine
SMILESCOc1ccc2c(c1OC)CCC=C2CNC(C)C
InChIInChI=1S/C16H23NO2/c1-11(2)17-10-12-6-5-7-14-13(12)8-9-15(18-3)16(14)19-4/h6,8-9,11,17H,5,7,10H2,1-4H3
InChIKeySEYHCERPDXHNNO-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.03
Rot. Bonds5

About N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]propan-2-amine

N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]propan-2-amine (PubChem CID 13340007) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]propan-2-amine
PubChem CID13340007
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]propan-2-amine
SMILESCOc1ccc2c(c1OC)CCC=C2CNC(C)C
InChIInChI=1S/C16H23NO2/c1-11(2)17-10-12-6-5-7-14-13(12)8-9-15(18-3)16(14)19-4/h6,8-9,11,17H,5,7,10H2,1-4H3
InChIKeySEYHCERPDXHNNO-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]propan-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

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]propan-2-amine (CID 13340007) is N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]propan-2-amine is COc1ccc2c(c1OC)CCC=C2CNC(C)C.
What is the InChIKey of N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]propan-2-amine?
The InChIKey is SEYHCERPDXHNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)17-10-12-6-5-7-14-13(12)8-9-15(18-3)16(14)19-4/h6,8-9,11,17H,5,7,10H2,1-4H3.
What are the key properties of N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]propan-2-amine?
N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]propan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]propan-2-amine is sourced from PubChem (CID 13340007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).