2,4-dimethoxy-N-pentylaniline

C13H21NO2 — CID 28570496

IUPAC2,4-dimethoxy-N-pentylaniline
SMILESCCCCCNc1ccc(OC)cc1OC
InChIInChI=1S/C13H21NO2/c1-4-5-6-9-14-12-8-7-11(15-2)10-13(12)16-3/h7-8,10,14H,4-6,9H2,1-3H3
InChIKeyRUIZZEVZWHWKAQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.31
Rot. Bonds7

About 2,4-dimethoxy-N-pentylaniline

2,4-dimethoxy-N-pentylaniline (PubChem CID 28570496) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2,4-dimethoxy-N-pentylaniline.

Molecular Properties

Compound Name2,4-dimethoxy-N-pentylaniline
PubChem CID28570496
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2,4-dimethoxy-N-pentylaniline
SMILESCCCCCNc1ccc(OC)cc1OC
InChIInChI=1S/C13H21NO2/c1-4-5-6-9-14-12-8-7-11(15-2)10-13(12)16-3/h7-8,10,14H,4-6,9H2,1-3H3
InChIKeyRUIZZEVZWHWKAQ-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': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2,4-dimethoxyphenyl)butane-1,4-diamine
CID 82114957
N-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82084110
4-methoxy-2-methyl-N-nonylaniline
CID 63492120
4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864137
N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide
CID 109032275
2,4-dimethoxy-N-pent-4-ynylaniline
CID 115871890
4-(heptylamino)-3-methoxybenzonitrile
CID 104848308
1-(2,4-dimethoxyphenyl)-3-undecylthiourea
CID 19651293
1-(2,4-dimethoxyphenyl)-3-octylthiourea
CID 4299563
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
2,4-dimethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561339
ethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate
CID 42847243

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-pentylaniline?
The IUPAC name of 2,4-dimethoxy-N-pentylaniline (CID 28570496) is 2,4-dimethoxy-N-pentylaniline.
What is the SMILES notation for 2,4-dimethoxy-N-pentylaniline?
The canonical SMILES for 2,4-dimethoxy-N-pentylaniline is CCCCCNc1ccc(OC)cc1OC.
What is the InChIKey of 2,4-dimethoxy-N-pentylaniline?
The InChIKey is RUIZZEVZWHWKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-5-6-9-14-12-8-7-11(15-2)10-13(12)16-3/h7-8,10,14H,4-6,9H2,1-3H3.
What are the key properties of 2,4-dimethoxy-N-pentylaniline?
2,4-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 2,4-dimethoxy-N-pentylaniline is sourced from PubChem (CID 28570496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).