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

C18H24N2O — CID 44334052

IUPACN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine
SMILESCN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=C2
InChIInChI=1S/C18H24N2O/c1-19(2)13-14-20(17-7-5-4-6-8-17)15-16-9-11-18(21-3)12-10-16/h4-12H,13-15H2,1-3H3
InChIKeyCJRGGNLFHHJLMK-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.60
Rot. Bonds7

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

N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine (PubChem CID 44334052) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine
PubChem CID44334052
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine
SMILESCN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=C2
InChIInChI=1S/C18H24N2O/c1-19(2)13-14-20(17-7-5-4-6-8-17)15-16-9-11-18(21-3)12-10-16/h4-12H,13-15H2,1-3H3
InChIKeyCJRGGNLFHHJLMK-UHFFFAOYSA-N
XLogP3.60
TPSA15.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity268

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
CID 619798
N-(4-methoxybenzyl)-N'-phenylthiourea
CID 773303
N-Benzyl-4-methoxyaniline
CID 519413
4-methoxy-N-(1-phenylethyl)aniline
CID 3849761
Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-
CID 3826471
N-(4-methoxybenzyl)-2-nitroaniline
CID 2920606
N-(4-Methoxybenzyl)aniline
CID 408377
4,4'-[(4-Methoxyphenyl)methylene]bis(N,N-dimethylaniline)
CID 348623
1-(2-(Phenoxymethyl)phenyl)piperazine
CID 45483466
N-[(4-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 9155553
1-Benzyl-4-(4-methoxybenzyl)piperazine
CID 762919
1-[4-(Dimethylamino)phenyl]-5-(4-methoxyphenyl)-1,4-pentadien-3-one
CID 869055

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine?
The IUPAC name of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine (CID 44334052) is N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine?
The canonical SMILES for N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine is CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=C2.
What is the InChIKey of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine?
The InChIKey is CJRGGNLFHHJLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-19(2)13-14-20(17-7-5-4-6-8-17)15-16-9-11-18(21-3)12-10-16/h4-12H,13-15H2,1-3H3.
What are the key properties of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine?
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine has a molecular weight of 284.40 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 44334052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).