3-methoxy-2-propylaniline

C10H15NO — CID 70555018

IUPAC3-methoxy-2-propylaniline
SMILESCCCc1c(N)cccc1OC
InChIInChI=1S/C10H15NO/c1-3-5-8-9(11)6-4-7-10(8)12-2/h4,6-7H,3,5,11H2,1-2H3
InChIKeyOOTGDFHTNLKNIK-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.23
Rot. Bonds3

About 3-methoxy-2-propylaniline

3-methoxy-2-propylaniline (PubChem CID 70555018) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-methoxy-2-propylaniline.

Molecular Properties

Compound Name3-methoxy-2-propylaniline
PubChem CID70555018
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-methoxy-2-propylaniline
SMILESCCCc1c(N)cccc1OC
InChIInChI=1S/C10H15NO/c1-3-5-8-9(11)6-4-7-10(8)12-2/h4,6-7H,3,5,11H2,1-2H3
InChIKeyOOTGDFHTNLKNIK-UHFFFAOYSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2-propylphenol
CID 10607156
3-methoxy-2-[(2-methoxyphenyl)methyl]aniline
CID 13379479
2-butyl-1,3-dimethoxybenzene
CID 524840
3-iodo-2-propylaniline
CID 170306799
2,3-dibutyl-4-methoxyaniline
CID 175061118
3,5-dimethoxy-2-propylaniline
CID 141261453
(2-amino-6-methoxyphenyl)methyl-triphenylphosphanium
CID 10227540
2-(1λ3-iodiran-1-yliodanuidylmethyl)-3-methoxyaniline
CID 163951770
(2-methoxy-6-propoxyphenyl)methanamine
CID 118156685
2,6-dimethoxyaniline;ethane
CID 145233133
N-[(2,6-dimethoxyphenyl)methyl]ethanamine
CID 43163718
2-methoxyaniline;dihydrochloride
CID 69020746

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-propylaniline?
The IUPAC name of 3-methoxy-2-propylaniline (CID 70555018) is 3-methoxy-2-propylaniline.
What is the SMILES notation for 3-methoxy-2-propylaniline?
The canonical SMILES for 3-methoxy-2-propylaniline is CCCc1c(N)cccc1OC.
What is the InChIKey of 3-methoxy-2-propylaniline?
The InChIKey is OOTGDFHTNLKNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-5-8-9(11)6-4-7-10(8)12-2/h4,6-7H,3,5,11H2,1-2H3.
What are the key properties of 3-methoxy-2-propylaniline?
3-methoxy-2-propylaniline has a molecular weight of 165.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-propylaniline is sourced from PubChem (CID 70555018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).