3,5-dimethoxy-N-methyl-N-propan-2-ylaniline

C12H19NO2 — CID 129265137

IUPAC3,5-dimethoxy-N-methyl-N-propan-2-ylaniline
SMILESCOc1cc(OC)cc(N(C)C(C)C)c1
InChIInChI=1S/C12H19NO2/c1-9(2)13(3)10-6-11(14-4)8-12(7-10)15-5/h6-9H,1-5H3
InChIKeyNQWQKELDWGVXQV-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.55
Rot. Bonds4

About 3,5-dimethoxy-N-methyl-N-propan-2-ylaniline

3,5-dimethoxy-N-methyl-N-propan-2-ylaniline (PubChem CID 129265137) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3,5-dimethoxy-N-methyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name3,5-dimethoxy-N-methyl-N-propan-2-ylaniline
PubChem CID129265137
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3,5-dimethoxy-N-methyl-N-propan-2-ylaniline
SMILESCOc1cc(OC)cc(N(C)C(C)C)c1
InChIInChI=1S/C12H19NO2/c1-9(2)13(3)10-6-11(14-4)8-12(7-10)15-5/h6-9H,1-5H3
InChIKeyNQWQKELDWGVXQV-UHFFFAOYSA-N
XLogP2.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phosphane;1,3,5-trimethoxybenzene
CID 175232895
3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide
CID 86920278
(3,5-dimethoxyphenyl) N,N-dimethylsulfamate
CID 118351208
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239
4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 85073346
N,N-dimethyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 116914648
2-chloro-N-(3,5-dimethoxyphenyl)-N-methylacetamide
CID 166414676
N-(1H-imidazol-5-ylmethyl)-3,5-dimethoxy-N-propan-2-ylaniline
CID 59728179
3-(3,5-dimethoxy-N-methylanilino)-N-methylpropanamide
CID 68684023
5-methoxy-N-methyl-N-propan-2-ylnaphthalen-2-amine
CID 126610841
N-butan-2-yl-4-methoxy-N-methylaniline
CID 154139532
2-N-methyl-2-N-(2,4,6-trimethoxyphenyl)propane-1,2-diamine
CID 117039921

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-methyl-N-propan-2-ylaniline?
The IUPAC name of 3,5-dimethoxy-N-methyl-N-propan-2-ylaniline (CID 129265137) is 3,5-dimethoxy-N-methyl-N-propan-2-ylaniline.
What is the SMILES notation for 3,5-dimethoxy-N-methyl-N-propan-2-ylaniline?
The canonical SMILES for 3,5-dimethoxy-N-methyl-N-propan-2-ylaniline is COc1cc(OC)cc(N(C)C(C)C)c1.
What is the InChIKey of 3,5-dimethoxy-N-methyl-N-propan-2-ylaniline?
The InChIKey is NQWQKELDWGVXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(2)13(3)10-6-11(14-4)8-12(7-10)15-5/h6-9H,1-5H3.
What are the key properties of 3,5-dimethoxy-N-methyl-N-propan-2-ylaniline?
3,5-dimethoxy-N-methyl-N-propan-2-ylaniline has a molecular weight of 209.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-methyl-N-propan-2-ylaniline is sourced from PubChem (CID 129265137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).