N-(3-ethoxypropyl)-2-methoxyaniline

C12H19NO2 — CID 65176309

IUPACN-(3-ethoxypropyl)-2-methoxyaniline
SMILESCCOCCCNc1ccccc1OC
InChIInChI=1S/C12H19NO2/c1-3-15-10-6-9-13-11-7-4-5-8-12(11)14-2/h4-5,7-8,13H,3,6,9-10H2,1-2H3
InChIKeyVVCHWIAELKQBJB-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.53
Rot. Bonds7

About N-(3-ethoxypropyl)-2-methoxyaniline

N-(3-ethoxypropyl)-2-methoxyaniline (PubChem CID 65176309) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-methoxyaniline.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-methoxyaniline
PubChem CID65176309
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-(3-ethoxypropyl)-2-methoxyaniline
SMILESCCOCCCNc1ccccc1OC
InChIInChI=1S/C12H19NO2/c1-3-15-10-6-9-13-11-7-4-5-8-12(11)14-2/h4-5,7-8,13H,3,6,9-10H2,1-2H3
InChIKeyVVCHWIAELKQBJB-UHFFFAOYSA-N
XLogP2.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.53
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-(3-ethoxypropyl)-2-iodoaniline
CID 65175161
2-methoxy-N-(2-propoxyethyl)aniline
CID 106451173
N'-(2-methoxyphenyl)butane-1,4-diamine
CID 94254161
N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide
CID 47104251
2-(2-ethoxyethoxy)-N-hexylaniline
CID 54801767
4-(3-ethoxypropylamino)-3-methoxybenzonitrile
CID 104848581
2-methoxy-N-(4-methylpentyl)aniline
CID 83156470
2-methoxy-N-(3-methylsulfanylpropyl)aniline
CID 28612222
N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline
CID 54798120
N-[2-(2-chlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline
CID 54801723
N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethoxy)aniline
CID 103409328
N-[2-(2-ethoxyethoxy)phenyl]-2-(2-methoxyanilino)acetamide
CID 54817500

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-methoxyaniline?
The IUPAC name of N-(3-ethoxypropyl)-2-methoxyaniline (CID 65176309) is N-(3-ethoxypropyl)-2-methoxyaniline.
What is the SMILES notation for N-(3-ethoxypropyl)-2-methoxyaniline?
The canonical SMILES for N-(3-ethoxypropyl)-2-methoxyaniline is CCOCCCNc1ccccc1OC.
What is the InChIKey of N-(3-ethoxypropyl)-2-methoxyaniline?
The InChIKey is VVCHWIAELKQBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-15-10-6-9-13-11-7-4-5-8-12(11)14-2/h4-5,7-8,13H,3,6,9-10H2,1-2H3.
What are the key properties of N-(3-ethoxypropyl)-2-methoxyaniline?
N-(3-ethoxypropyl)-2-methoxyaniline has a molecular weight of 209.29 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-methoxyaniline is sourced from PubChem (CID 65176309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).