4-(4-methoxy-3-propan-2-ylphenoxy)-N,3,5-trimethylaniline

C19H25NO2 — CID 11779514

IUPAC4-(4-methoxy-3-propan-2-ylphenoxy)-N,3,5-trimethylaniline
SMILESCNc1cc(C)c(Oc2ccc(OC)c(C(C)C)c2)c(C)c1
InChIInChI=1S/C19H25NO2/c1-12(2)17-11-16(7-8-18(17)21-6)22-19-13(3)9-15(20-5)10-14(19)4/h7-12,20H,1-6H3
InChIKeyWNQCKSWUMSJDJX-UHFFFAOYSA-N
MW299.41 g/mol
LogP5.27
Rot. Bonds5

About 4-(4-methoxy-3-propan-2-ylphenoxy)-N,3,5-trimethylaniline

4-(4-methoxy-3-propan-2-ylphenoxy)-N,3,5-trimethylaniline (PubChem CID 11779514) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-(4-methoxy-3-propan-2-ylphenoxy)-N,3,5-trimethylaniline.

Molecular Properties

Compound Name4-(4-methoxy-3-propan-2-ylphenoxy)-N,3,5-trimethylaniline
PubChem CID11779514
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name4-(4-methoxy-3-propan-2-ylphenoxy)-N,3,5-trimethylaniline
SMILESCNc1cc(C)c(Oc2ccc(OC)c(C(C)C)c2)c(C)c1
InChIInChI=1S/C19H25NO2/c1-12(2)17-11-16(7-8-18(17)21-6)22-19-13(3)9-15(20-5)10-14(19)4/h7-12,20H,1-6H3
InChIKeyWNQCKSWUMSJDJX-UHFFFAOYSA-N
XLogP5.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.41
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide
CID 142030863
tert-butyl N-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-2-oxoethyl]carbamate
CID 142030848
O-ethyl [4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]sulfanylmethanethioate
CID 10000485
diethyl 4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzene-1,2-dicarboxylate
CID 86626562
1-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-(4-methoxyphenyl)urea
CID 142200724
(4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate
CID 142200774
4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol
CID 25150421
4-[4-[dibromo(iodo)methyl]phenoxy]-1-methoxy-2-propan-2-ylbenzene
CID 154289347
formaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol
CID 143340424
[4-(4-methoxy-3-propan-2-ylphenoxy)-5,6-dimethyl-1H-indol-2-yl]phosphonic acid
CID 66642905
ethane;4-methoxy-N,3-dimethylaniline
CID 142876075
1,3-dichloro-2-(4-methoxy-3-propan-2-ylphenoxy)-4-nitrobenzene
CID 91056227

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-propan-2-ylphenoxy)-N,3,5-trimethylaniline?
The IUPAC name of 4-(4-methoxy-3-propan-2-ylphenoxy)-N,3,5-trimethylaniline (CID 11779514) is 4-(4-methoxy-3-propan-2-ylphenoxy)-N,3,5-trimethylaniline.
What is the SMILES notation for 4-(4-methoxy-3-propan-2-ylphenoxy)-N,3,5-trimethylaniline?
The canonical SMILES for 4-(4-methoxy-3-propan-2-ylphenoxy)-N,3,5-trimethylaniline is CNc1cc(C)c(Oc2ccc(OC)c(C(C)C)c2)c(C)c1.
What is the InChIKey of 4-(4-methoxy-3-propan-2-ylphenoxy)-N,3,5-trimethylaniline?
The InChIKey is WNQCKSWUMSJDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-12(2)17-11-16(7-8-18(17)21-6)22-19-13(3)9-15(20-5)10-14(19)4/h7-12,20H,1-6H3.
What are the key properties of 4-(4-methoxy-3-propan-2-ylphenoxy)-N,3,5-trimethylaniline?
4-(4-methoxy-3-propan-2-ylphenoxy)-N,3,5-trimethylaniline has a molecular weight of 299.41 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-propan-2-ylphenoxy)-N,3,5-trimethylaniline is sourced from PubChem (CID 11779514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).