N-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-N'-phenylethane-1,2-diamine

C22H30N2O — CID 10337232

IUPACN-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-N'-phenylethane-1,2-diamine
SMILESCOc1cccc2c1CCCC2CCCNCCNc1ccccc1
InChIInChI=1S/C22H30N2O/c1-25-22-14-6-12-20-18(8-5-13-21(20)22)9-7-15-23-16-17-24-19-10-3-2-4-11-19/h2-4,6,10-12,14,18,23-24H,5,7-9,13,15-17H2,1H3
InChIKeyKXJWNZITOQQZAO-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.60
Rot. Bonds9

About N-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-N'-phenylethane-1,2-diamine

N-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-N'-phenylethane-1,2-diamine (PubChem CID 10337232) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is N-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-N'-phenylethane-1,2-diamine
PubChem CID10337232
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC NameN-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-N'-phenylethane-1,2-diamine
SMILESCOc1cccc2c1CCCC2CCCNCCNc1ccccc1
InChIInChI=1S/C22H30N2O/c1-25-22-14-6-12-20-18(8-5-13-21(20)22)9-7-15-23-16-17-24-19-10-3-2-4-11-19/h2-4,6,10-12,14,18,23-24H,5,7-9,13,15-17H2,1H3
InChIKeyKXJWNZITOQQZAO-UHFFFAOYSA-N
XLogP4.60
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-N'-phenylethane-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 N-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-N'-phenylethane-1,2-diamine?
The IUPAC name of N-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-N'-phenylethane-1,2-diamine (CID 10337232) is N-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-N'-phenylethane-1,2-diamine?
The canonical SMILES for N-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-N'-phenylethane-1,2-diamine is COc1cccc2c1CCCC2CCCNCCNc1ccccc1.
What is the InChIKey of N-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-N'-phenylethane-1,2-diamine?
The InChIKey is KXJWNZITOQQZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-25-22-14-6-12-20-18(8-5-13-21(20)22)9-7-15-23-16-17-24-19-10-3-2-4-11-19/h2-4,6,10-12,14,18,23-24H,5,7-9,13,15-17H2,1H3.
What are the key properties of N-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-N'-phenylethane-1,2-diamine?
N-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-N'-phenylethane-1,2-diamine has a molecular weight of 338.50 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 10337232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).