3,4-dimethoxy-N-(4-methylphenyl)-N-propan-2-ylaniline

C18H23NO2 — CID 177401389

IUPAC3,4-dimethoxy-N-(4-methylphenyl)-N-propan-2-ylaniline
SMILESCOc1ccc(N(c2ccc(C)cc2)C(C)C)cc1OC
InChIInChI=1S/C18H23NO2/c1-13(2)19(15-8-6-14(3)7-9-15)16-10-11-17(20-4)18(12-16)21-5/h6-13H,1-5H3
InChIKeyYSGTXKFZKJNBAI-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.56
Rot. Bonds5

About 3,4-dimethoxy-N-(4-methylphenyl)-N-propan-2-ylaniline

3,4-dimethoxy-N-(4-methylphenyl)-N-propan-2-ylaniline (PubChem CID 177401389) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(4-methylphenyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name3,4-dimethoxy-N-(4-methylphenyl)-N-propan-2-ylaniline
PubChem CID177401389
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3,4-dimethoxy-N-(4-methylphenyl)-N-propan-2-ylaniline
SMILESCOc1ccc(N(c2ccc(C)cc2)C(C)C)cc1OC
InChIInChI=1S/C18H23NO2/c1-13(2)19(15-8-6-14(3)7-9-15)16-10-11-17(20-4)18(12-16)21-5/h6-13H,1-5H3
InChIKeyYSGTXKFZKJNBAI-UHFFFAOYSA-N
XLogP4.56
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-3,5-dimethyl-N-propan-2-ylaniline
CID 59308365
1,2-dimethoxy-4-[1-(4-methylphenyl)ethyl]benzene
CID 57200665
N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)propane-2-sulfonamide
CID 42841784
3,4-dimethoxy-N,N-bis(4-methylphenyl)benzenesulfonamide
CID 4626268
[(S)-(3,4-dimethoxyphenyl)-(4-methylphenyl)methyl]azanium
CID 7183177
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
N-(3,4-dimethoxyphenyl)-N-methylhydroxylamine
CID 88903555
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 43875538
2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 83541837
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
N,N-diethyl-3,4-dimethoxyaniline
CID 82538204
3,4-dimethoxy-N-methyl-N-(3-methylbutyl)aniline
CID 60588106

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(4-methylphenyl)-N-propan-2-ylaniline?
The IUPAC name of 3,4-dimethoxy-N-(4-methylphenyl)-N-propan-2-ylaniline (CID 177401389) is 3,4-dimethoxy-N-(4-methylphenyl)-N-propan-2-ylaniline.
What is the SMILES notation for 3,4-dimethoxy-N-(4-methylphenyl)-N-propan-2-ylaniline?
The canonical SMILES for 3,4-dimethoxy-N-(4-methylphenyl)-N-propan-2-ylaniline is COc1ccc(N(c2ccc(C)cc2)C(C)C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(4-methylphenyl)-N-propan-2-ylaniline?
The InChIKey is YSGTXKFZKJNBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(2)19(15-8-6-14(3)7-9-15)16-10-11-17(20-4)18(12-16)21-5/h6-13H,1-5H3.
What are the key properties of 3,4-dimethoxy-N-(4-methylphenyl)-N-propan-2-ylaniline?
3,4-dimethoxy-N-(4-methylphenyl)-N-propan-2-ylaniline has a molecular weight of 285.39 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(4-methylphenyl)-N-propan-2-ylaniline is sourced from PubChem (CID 177401389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).