1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine

C18H24N2O2 — CID 39423555

IUPAC1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCCOc1cc(CNc2ccc(N(C)C)cc2)ccc1OC
InChIInChI=1S/C18H24N2O2/c1-5-22-18-12-14(6-11-17(18)21-4)13-19-15-7-9-16(10-8-15)20(2)3/h6-12,19H,5,13H2,1-4H3
InChIKeyRLXCILDYFQAELH-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.77
Rot. Bonds7

About 1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 39423555) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID39423555
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCCOc1cc(CNc2ccc(N(C)C)cc2)ccc1OC
InChIInChI=1S/C18H24N2O2/c1-5-22-18-12-14(6-11-17(18)21-4)13-19-15-7-9-16(10-8-15)20(2)3/h6-12,19H,5,13H2,1-4H3
InChIKeyRLXCILDYFQAELH-UHFFFAOYSA-N
XLogP3.77
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N-[(3,4-dimethoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 964328
4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol
CID 39371639
3-bromo-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-methylaniline
CID 63333064
N-[(3-ethoxy-4-methoxyphenyl)methyl]thiophen-3-amine
CID 66352513
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
CID 855075
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline
CID 43729859
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 28615179
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine
CID 112897265
N-[(3,5-dichlorophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 60790045
3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 43729883

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 39423555) is 1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine is CCOc1cc(CNc2ccc(N(C)C)cc2)ccc1OC.
What is the InChIKey of 1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is RLXCILDYFQAELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-5-22-18-12-14(6-11-17(18)21-4)13-19-15-7-9-16(10-8-15)20(2)3/h6-12,19H,5,13H2,1-4H3.
What are the key properties of 1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 300.40 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 39423555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).