N-methoxy-4-propylaniline

C10H15NO — CID 143258857

IUPACN-methoxy-4-propylaniline
SMILESCCCc1ccc(NOC)cc1
InChIInChI=1S/C10H15NO/c1-3-4-9-5-7-10(8-6-9)11-12-2/h5-8,11H,3-4H2,1-2H3
InChIKeyFUMPBXHDPAGGPD-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.61
Rot. Bonds4

About N-methoxy-4-propylaniline

N-methoxy-4-propylaniline (PubChem CID 143258857) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-methoxy-4-propylaniline.

Molecular Properties

Compound NameN-methoxy-4-propylaniline
PubChem CID143258857
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-methoxy-4-propylaniline
SMILESCCCc1ccc(NOC)cc1
InChIInChI=1S/C10H15NO/c1-3-4-9-5-7-10(8-6-9)11-12-2/h5-8,11H,3-4H2,1-2H3
InChIKeyFUMPBXHDPAGGPD-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[(4-propylphenyl)methyl]aniline
CID 116926083
methyl 2-(4-propylphenoxy)acetate
CID 19911850
N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
N-but-1-en-2-yl-4-propylaniline
CID 142064783
1-(2,2-dimethoxyethyl)-2-(4-propylphenyl)hydrazine
CID 18940925
ethane;1-methoxy-4-propylbenzene
CID 142085762
N-(propoxymethyl)-4-propylaniline
CID 162035789
N-(3-methylpentan-2-yl)-4-propylaniline
CID 43096096
1-(4-propylanilino)propan-2-ol
CID 60884974
methyl N-[(4-propylphenyl)methyl]carbamate
CID 110780430
2-(2-methoxyethoxy)-N-(4-propylphenyl)acetamide
CID 103606707
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340

Frequently Asked Questions

What is the IUPAC name of N-methoxy-4-propylaniline?
The IUPAC name of N-methoxy-4-propylaniline (CID 143258857) is N-methoxy-4-propylaniline.
What is the SMILES notation for N-methoxy-4-propylaniline?
The canonical SMILES for N-methoxy-4-propylaniline is CCCc1ccc(NOC)cc1.
What is the InChIKey of N-methoxy-4-propylaniline?
The InChIKey is FUMPBXHDPAGGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-4-9-5-7-10(8-6-9)11-12-2/h5-8,11H,3-4H2,1-2H3.
What are the key properties of N-methoxy-4-propylaniline?
N-methoxy-4-propylaniline has a molecular weight of 165.24 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-propylaniline is sourced from PubChem (CID 143258857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).