N'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine

C14H18N2O — CID 60887556

IUPACN'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine
SMILESCOc1ccc2cc(CNCCN)ccc2c1
InChIInChI=1S/C14H18N2O/c1-17-14-5-4-12-8-11(10-16-7-6-15)2-3-13(12)9-14/h2-5,8-9,16H,6-7,10,15H2,1H3
InChIKeyOWWVDJHUAZURCF-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.90
Rot. Bonds5

About N'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine

N'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine (PubChem CID 60887556) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine
PubChem CID60887556
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine
SMILESCOc1ccc2cc(CNCCN)ccc2c1
InChIInChI=1S/C14H18N2O/c1-17-14-5-4-12-8-11(10-16-7-6-15)2-3-13(12)9-14/h2-5,8-9,16H,6-7,10,15H2,1H3
InChIKeyOWWVDJHUAZURCF-UHFFFAOYSA-N
XLogP1.90
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-methoxynaphthalen-2-yl)methylamino]butanoic acid
CID 60782976
N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239709
N'-[2-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239417
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
2-(3,4-dimethoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]ethanamine
CID 17410141
1-(6-methoxynaphthalen-2-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 60711272
2-(furan-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]ethanamine
CID 43395395
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
N'-[[4-[4-[(2-aminoethylamino)methyl]phenoxy]phenyl]methyl]ethane-1,2-diamine
CID 154146125
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
3-[(6-methoxynaphthalen-2-yl)methylamino]propane-1,2-diol
CID 66175454
N-[(6-methoxynaphthalen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83141221

Frequently Asked Questions

What is the IUPAC name of N'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine (CID 60887556) is N'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine is COc1ccc2cc(CNCCN)ccc2c1.
What is the InChIKey of N'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is OWWVDJHUAZURCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-17-14-5-4-12-8-11(10-16-7-6-15)2-3-13(12)9-14/h2-5,8-9,16H,6-7,10,15H2,1H3.
What are the key properties of N'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine?
N'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 230.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 60887556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).