4-[2-(2,4-dimethoxyphenyl)ethyl]aniline

C16H19NO2 — CID 14256033

IUPAC4-[2-(2,4-dimethoxyphenyl)ethyl]aniline
SMILESCOc1ccc(CCc2ccc(N)cc2)c(OC)c1
InChIInChI=1S/C16H19NO2/c1-18-15-10-7-13(16(11-15)19-2)6-3-12-4-8-14(17)9-5-12/h4-5,7-11H,3,6,17H2,1-2H3
InChIKeyNGIXDYUUIUHHLN-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.07
Rot. Bonds5

About 4-[2-(2,4-dimethoxyphenyl)ethyl]aniline

4-[2-(2,4-dimethoxyphenyl)ethyl]aniline (PubChem CID 14256033) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[2-(2,4-dimethoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-[2-(2,4-dimethoxyphenyl)ethyl]aniline
PubChem CID14256033
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-[2-(2,4-dimethoxyphenyl)ethyl]aniline
SMILESCOc1ccc(CCc2ccc(N)cc2)c(OC)c1
InChIInChI=1S/C16H19NO2/c1-18-15-10-7-13(16(11-15)19-2)6-3-12-4-8-14(17)9-5-12/h4-5,7-11H,3,6,17H2,1-2H3
InChIKeyNGIXDYUUIUHHLN-UHFFFAOYSA-N
XLogP3.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene
CID 54567492
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
2-(4-aminophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119682696
4-[(4-methoxy-2-methylphenyl)methyl]aniline
CID 90158561
1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene
CID 172870969
2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene
CID 139826649
3-(2,4-dimethoxyphenyl)propane-1-thiol
CID 94681824
N-[(4-aminophenyl)methyl]-2,4-dimethoxy-N-methylaniline
CID 39371673
1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
4-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]aniline
CID 102696265
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dimethoxyphenyl)ethyl]aniline?
The IUPAC name of 4-[2-(2,4-dimethoxyphenyl)ethyl]aniline (CID 14256033) is 4-[2-(2,4-dimethoxyphenyl)ethyl]aniline.
What is the SMILES notation for 4-[2-(2,4-dimethoxyphenyl)ethyl]aniline?
The canonical SMILES for 4-[2-(2,4-dimethoxyphenyl)ethyl]aniline is COc1ccc(CCc2ccc(N)cc2)c(OC)c1.
What is the InChIKey of 4-[2-(2,4-dimethoxyphenyl)ethyl]aniline?
The InChIKey is NGIXDYUUIUHHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-18-15-10-7-13(16(11-15)19-2)6-3-12-4-8-14(17)9-5-12/h4-5,7-11H,3,6,17H2,1-2H3.
What are the key properties of 4-[2-(2,4-dimethoxyphenyl)ethyl]aniline?
4-[2-(2,4-dimethoxyphenyl)ethyl]aniline has a molecular weight of 257.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dimethoxyphenyl)ethyl]aniline is sourced from PubChem (CID 14256033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).