3,5-dimethoxy-N-pentylaniline

C13H21NO2 — CID 28575532

IUPAC3,5-dimethoxy-N-pentylaniline
SMILESCCCCCNc1cc(OC)cc(OC)c1
InChIInChI=1S/C13H21NO2/c1-4-5-6-7-14-11-8-12(15-2)10-13(9-11)16-3/h8-10,14H,4-7H2,1-3H3
InChIKeyUOWPDOJDNGQGQV-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.31
Rot. Bonds7

About 3,5-dimethoxy-N-pentylaniline

3,5-dimethoxy-N-pentylaniline (PubChem CID 28575532) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3,5-dimethoxy-N-pentylaniline.

Molecular Properties

Compound Name3,5-dimethoxy-N-pentylaniline
PubChem CID28575532
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3,5-dimethoxy-N-pentylaniline
SMILESCCCCCNc1cc(OC)cc(OC)c1
InChIInChI=1S/C13H21NO2/c1-4-5-6-7-14-11-8-12(15-2)10-13(9-11)16-3/h8-10,14H,4-7H2,1-3H3
InChIKeyUOWPDOJDNGQGQV-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-3-methoxyaniline
CID 15500485
N-hexyl-3,4,5-trimethoxyaniline
CID 28876878
3,5-dimethoxy-N-(4-phenylbutyl)aniline
CID 114333116
N-(2-ethoxyethyl)-3,5-dimethoxyaniline
CID 43387851
N-butyl-2-(3,5-dimethoxyanilino)acetamide
CID 32913276
4-(3-bromo-5-methoxyanilino)butan-1-ol
CID 82868117
3-(3,5-dimethoxyanilino)propyl hydrogen sulfite
CID 57217262
6-(3-bromo-5-methoxyanilino)hexan-1-ol
CID 113343359
5-(3-bromo-5-methoxyanilino)pentan-1-ol
CID 82868448
2,4-dimethoxy-N-pentylaniline
CID 28570496
5-methoxy-3-N-(5,5,5-trifluoropentyl)benzene-1,3-diamine
CID 113326788
4-methoxy-2-methyl-N-nonylaniline
CID 63492120

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-pentylaniline?
The IUPAC name of 3,5-dimethoxy-N-pentylaniline (CID 28575532) is 3,5-dimethoxy-N-pentylaniline.
What is the SMILES notation for 3,5-dimethoxy-N-pentylaniline?
The canonical SMILES for 3,5-dimethoxy-N-pentylaniline is CCCCCNc1cc(OC)cc(OC)c1.
What is the InChIKey of 3,5-dimethoxy-N-pentylaniline?
The InChIKey is UOWPDOJDNGQGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-5-6-7-14-11-8-12(15-2)10-13(9-11)16-3/h8-10,14H,4-7H2,1-3H3.
What are the key properties of 3,5-dimethoxy-N-pentylaniline?
3,5-dimethoxy-N-pentylaniline has a molecular weight of 223.32 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-pentylaniline is sourced from PubChem (CID 28575532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).