1-(4-methoxynaphthalen-1-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine

C17H22N2O — CID 114616035

IUPAC1-(4-methoxynaphthalen-1-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
SMILESC=C(C)CNC(CN)c1ccc(OC)c2ccccc12
InChIInChI=1S/C17H22N2O/c1-12(2)11-19-16(10-18)14-8-9-17(20-3)15-7-5-4-6-13(14)15/h4-9,16,19H,1,10-11,18H2,2-3H3
InChIKeySOJHNAMKKSPBKS-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.01
Rot. Bonds6

About 1-(4-methoxynaphthalen-1-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine

1-(4-methoxynaphthalen-1-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine (PubChem CID 114616035) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(4-methoxynaphthalen-1-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methoxynaphthalen-1-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
PubChem CID114616035
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(4-methoxynaphthalen-1-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
SMILESC=C(C)CNC(CN)c1ccc(OC)c2ccccc12
InChIInChI=1S/C17H22N2O/c1-12(2)11-19-16(10-18)14-8-9-17(20-3)15-7-5-4-6-13(14)15/h4-9,16,19H,1,10-11,18H2,2-3H3
InChIKeySOJHNAMKKSPBKS-UHFFFAOYSA-N
XLogP3.01
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-methoxynaphthalen-1-yl)-N-(2-methylprop-2-enyl)ethane-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

Related Compounds

N-but-3-ynyl-1-(4-methoxynaphthalen-1-yl)ethane-1,2-diamine
CID 116641053
N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine
CID 115900226
1-(2-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616027
N-(2-methylprop-2-enyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 114616293
1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466724
methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate
CID 79016866
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine
CID 43494411
N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 62066193
(1S)-1-(4-methoxynaphthalen-1-yl)but-3-en-1-amine
CID 171232852
N-(2-methylprop-2-enyl)-1-quinolin-8-ylethane-1,2-diamine
CID 114616018
methyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 171245129

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxynaphthalen-1-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-methoxynaphthalen-1-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine (CID 114616035) is 1-(4-methoxynaphthalen-1-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-methoxynaphthalen-1-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-methoxynaphthalen-1-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine is C=C(C)CNC(CN)c1ccc(OC)c2ccccc12.
What is the InChIKey of 1-(4-methoxynaphthalen-1-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
The InChIKey is SOJHNAMKKSPBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(2)11-19-16(10-18)14-8-9-17(20-3)15-7-5-4-6-13(14)15/h4-9,16,19H,1,10-11,18H2,2-3H3.
What are the key properties of 1-(4-methoxynaphthalen-1-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
1-(4-methoxynaphthalen-1-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxynaphthalen-1-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine is sourced from PubChem (CID 114616035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).