N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine

C19H26N2O — CID 155552699

IUPACN'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine
SMILESCOc1ccc(CCN(CCN(C)C)c2ccccc2)cc1
InChIInChI=1S/C19H26N2O/c1-20(2)15-16-21(18-7-5-4-6-8-18)14-13-17-9-11-19(22-3)12-10-17/h4-12H,13-16H2,1-3H3
InChIKeyKJNAIDJISMHUIO-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.31
Rot. Bonds8

About N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine

N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine (PubChem CID 155552699) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine
PubChem CID155552699
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine
SMILESCOc1ccc(CCN(CCN(C)C)c2ccccc2)cc1
InChIInChI=1S/C19H26N2O/c1-20(2)15-16-21(18-7-5-4-6-8-18)14-13-17-9-11-19(22-3)12-10-17/h4-12H,13-16H2,1-3H3
InChIKeyKJNAIDJISMHUIO-UHFFFAOYSA-N
XLogP3.31
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine?
The IUPAC name of N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine (CID 155552699) is N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine is COc1ccc(CCN(CCN(C)C)c2ccccc2)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine?
The InChIKey is KJNAIDJISMHUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-20(2)15-16-21(18-7-5-4-6-8-18)14-13-17-9-11-19(22-3)12-10-17/h4-12H,13-16H2,1-3H3.
What are the key properties of N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine?
N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine has a molecular weight of 298.43 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 155552699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).