2-methoxy-N-(2-propoxyethyl)aniline

C12H19NO2 — CID 106451173

IUPAC2-methoxy-N-(2-propoxyethyl)aniline
SMILESCCCOCCNc1ccccc1OC
InChIInChI=1S/C12H19NO2/c1-3-9-15-10-8-13-11-6-4-5-7-12(11)14-2/h4-7,13H,3,8-10H2,1-2H3
InChIKeyZRWPNUHHXLHMFA-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.53
Rot. Bonds7

About 2-methoxy-N-(2-propoxyethyl)aniline

2-methoxy-N-(2-propoxyethyl)aniline (PubChem CID 106451173) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-methoxy-N-(2-propoxyethyl)aniline.

Molecular Properties

Compound Name2-methoxy-N-(2-propoxyethyl)aniline
PubChem CID106451173
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-methoxy-N-(2-propoxyethyl)aniline
SMILESCCCOCCNc1ccccc1OC
InChIInChI=1S/C12H19NO2/c1-3-9-15-10-8-13-11-6-4-5-7-12(11)14-2/h4-7,13H,3,8-10H2,1-2H3
InChIKeyZRWPNUHHXLHMFA-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-methoxyaniline
CID 65176309
2-(methoxymethyl)-N-(2-propoxyethyl)aniline
CID 106451815
2-tert-butyl-N-(2-propoxyethyl)aniline
CID 106452063
N-(2-methoxyphenyl)-2-(3-propoxypropylamino)acetamide
CID 82944054
(1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine
CID 106452312
4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline
CID 106451234
N'-ethyl-N-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 143024311
N-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)phenoxy]aniline
CID 11120659
N'-(2-methoxyphenyl)butane-1,4-diamine
CID 94254161
N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline
CID 54798120
2-methoxy-N-(4-methylpentyl)aniline
CID 83156470
2-methoxy-N-(3-methylsulfanylpropyl)aniline
CID 28612222

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-propoxyethyl)aniline?
The IUPAC name of 2-methoxy-N-(2-propoxyethyl)aniline (CID 106451173) is 2-methoxy-N-(2-propoxyethyl)aniline.
What is the SMILES notation for 2-methoxy-N-(2-propoxyethyl)aniline?
The canonical SMILES for 2-methoxy-N-(2-propoxyethyl)aniline is CCCOCCNc1ccccc1OC.
What is the InChIKey of 2-methoxy-N-(2-propoxyethyl)aniline?
The InChIKey is ZRWPNUHHXLHMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-9-15-10-8-13-11-6-4-5-7-12(11)14-2/h4-7,13H,3,8-10H2,1-2H3.
What are the key properties of 2-methoxy-N-(2-propoxyethyl)aniline?
2-methoxy-N-(2-propoxyethyl)aniline 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 2-methoxy-N-(2-propoxyethyl)aniline is sourced from PubChem (CID 106451173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).