N-(propoxymethyl)-4-propylaniline

C13H21NO — CID 162035789

IUPACN-(propoxymethyl)-4-propylaniline
SMILESCCCOCNc1ccc(CCC)cc1
InChIInChI=1S/C13H21NO/c1-3-5-12-6-8-13(9-7-12)14-11-15-10-4-2/h6-9,14H,3-5,10-11H2,1-2H3
InChIKeyVFSMEOCTGZKGFY-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.44
Rot. Bonds7

About N-(propoxymethyl)-4-propylaniline

N-(propoxymethyl)-4-propylaniline (PubChem CID 162035789) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(propoxymethyl)-4-propylaniline.

Molecular Properties

Compound NameN-(propoxymethyl)-4-propylaniline
PubChem CID162035789
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-(propoxymethyl)-4-propylaniline
SMILESCCCOCNc1ccc(CCC)cc1
InChIInChI=1S/C13H21NO/c1-3-5-12-6-8-13(9-7-12)14-11-15-10-4-2/h6-9,14H,3-5,10-11H2,1-2H3
InChIKeyVFSMEOCTGZKGFY-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene
CID 167637922
4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
CID 61491042
2-(4-propylanilino)ethanethiol
CID 115223632
N-methoxy-4-propylaniline
CID 143258857
N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
N-phenyl-2-(4-propylanilino)acetamide
CID 43215416
3-(4-propylanilino)propanamide
CID 43244066
N-(2-butoxyethyl)-4-butylaniline
CID 63489745
1-(4-propylanilino)propan-2-ol
CID 60884974
N-ethyl-4-(2-ethylperoxyethyl)aniline
CID 89031975
1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene
CID 174424801
2-propoxyethyl 2-(4-methylanilino)acetate
CID 63685417

Frequently Asked Questions

What is the IUPAC name of N-(propoxymethyl)-4-propylaniline?
The IUPAC name of N-(propoxymethyl)-4-propylaniline (CID 162035789) is N-(propoxymethyl)-4-propylaniline.
What is the SMILES notation for N-(propoxymethyl)-4-propylaniline?
The canonical SMILES for N-(propoxymethyl)-4-propylaniline is CCCOCNc1ccc(CCC)cc1.
What is the InChIKey of N-(propoxymethyl)-4-propylaniline?
The InChIKey is VFSMEOCTGZKGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-5-12-6-8-13(9-7-12)14-11-15-10-4-2/h6-9,14H,3-5,10-11H2,1-2H3.
What are the key properties of N-(propoxymethyl)-4-propylaniline?
N-(propoxymethyl)-4-propylaniline has a molecular weight of 207.32 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propoxymethyl)-4-propylaniline is sourced from PubChem (CID 162035789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).