N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine

C18H24N2O — CID 166238464

IUPACN'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine
SMILESCNCCNC(C)c1ccc(-c2ccccc2OC)cc1
InChIInChI=1S/C18H24N2O/c1-14(20-13-12-19-2)15-8-10-16(11-9-15)17-6-4-5-7-18(17)21-3/h4-11,14,19-20H,12-13H2,1-3H3
InChIKeyAXSAKCMWOXNUAE-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.23
Rot. Bonds7

About N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine

N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine (PubChem CID 166238464) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine
PubChem CID166238464
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine
SMILESCNCCNC(C)c1ccc(-c2ccccc2OC)cc1
InChIInChI=1S/C18H24N2O/c1-14(20-13-12-19-2)15-8-10-16(11-9-15)17-6-4-5-7-18(17)21-3/h4-11,14,19-20H,12-13H2,1-3H3
InChIKeyAXSAKCMWOXNUAE-UHFFFAOYSA-N
XLogP3.23
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.23
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

3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol
CID 166198762
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine
CID 166384960
3,4-dimethoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]butan-1-amine
CID 166242699
N-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine
CID 166385004
6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol
CID 166197123
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-methyl-3-methylsulfonylbutan-1-amine
CID 166237258
N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-pyridin-4-ylpropane-1,3-diamine
CID 166385022
N-[1-[2-chloro-4-(2-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 82771994
1-[4-(2-methoxyphenyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171859130
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119802421
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
2-amino-1-[4-(2-methoxyphenyl)phenyl]ethanol
CID 82293708

Frequently Asked Questions

What is the IUPAC name of N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine (CID 166238464) is N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine is CNCCNC(C)c1ccc(-c2ccccc2OC)cc1.
What is the InChIKey of N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine?
The InChIKey is AXSAKCMWOXNUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14(20-13-12-19-2)15-8-10-16(11-9-15)17-6-4-5-7-18(17)21-3/h4-11,14,19-20H,12-13H2,1-3H3.
What are the key properties of N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine?
N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine has a molecular weight of 284.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 166238464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).