N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine

C14H26N4O — CID 69239709

IUPACN'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCOc1cccc(CNCCNCCNCCN)c1
InChIInChI=1S/C14H26N4O/c1-19-14-4-2-3-13(11-14)12-18-10-9-17-8-7-16-6-5-15/h2-4,11,16-18H,5-10,12,15H2,1H3
InChIKeyWQSFGXBQMMWVAB-UHFFFAOYSA-N
MW266.39 g/mol
LogP-0.08
Rot. Bonds11

About N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine

N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 69239709) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
PubChem CID69239709
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCOc1cccc(CNCCNCCNCCN)c1
InChIInChI=1S/C14H26N4O/c1-19-14-4-2-3-13(11-14)12-18-10-9-17-8-7-16-6-5-15/h2-4,11,16-18H,5-10,12,15H2,1H3
InChIKeyWQSFGXBQMMWVAB-UHFFFAOYSA-N
XLogP-0.08
TPSA71.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239417
3-bromo-N-[(3-methoxyphenyl)methyl]propan-1-amine
CID 114293504
3-[(3-methoxyphenyl)methylamino]propane-1-thiol
CID 115224939
4-iodo-N-[(3-methoxyphenyl)methyl]butan-1-amine
CID 106844685
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
N'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine
CID 60887556
N'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69241095
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3575354
1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721134
N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine
CID 115260862
5-[(3-methoxyphenyl)methylamino]pentanenitrile
CID 60690756

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine (CID 69239709) is N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine is COc1cccc(CNCCNCCNCCN)c1.
What is the InChIKey of N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is WQSFGXBQMMWVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-19-14-4-2-3-13(11-14)12-18-10-9-17-8-7-16-6-5-15/h2-4,11,16-18H,5-10,12,15H2,1H3.
What are the key properties of N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine?
N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 266.39 g/mol, XLogP of -0.08, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 69239709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).