4-[2-[methyl(propyl)amino]ethoxy]aniline

C12H20N2O — CID 43270784

IUPAC4-[2-[methyl(propyl)amino]ethoxy]aniline
SMILESCCCN(C)CCOc1ccc(N)cc1
InChIInChI=1S/C12H20N2O/c1-3-8-14(2)9-10-15-12-6-4-11(13)5-7-12/h4-7H,3,8-10,13H2,1-2H3
InChIKeySYMIKHKXJAXXJY-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.99
Rot. Bonds6

About 4-[2-[methyl(propyl)amino]ethoxy]aniline

4-[2-[methyl(propyl)amino]ethoxy]aniline (PubChem CID 43270784) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-[2-[methyl(propyl)amino]ethoxy]aniline.

Molecular Properties

Compound Name4-[2-[methyl(propyl)amino]ethoxy]aniline
PubChem CID43270784
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name4-[2-[methyl(propyl)amino]ethoxy]aniline
SMILESCCCN(C)CCOc1ccc(N)cc1
InChIInChI=1S/C12H20N2O/c1-3-8-14(2)9-10-15-12-6-4-11(13)5-7-12/h4-7H,3,8-10,13H2,1-2H3
InChIKeySYMIKHKXJAXXJY-UHFFFAOYSA-N
XLogP1.99
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol
CID 114243002
4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline
CID 61427012
4-[2-[methyl(propyl)amino]ethoxy]benzenecarbothioamide
CID 43290676
4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline
CID 55141452
1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 54994996
2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290677
N-[2-(4-aminophenoxy)ethyl]-methyl-N-propylboronamidic acid
CID 59917836
2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide
CID 61450185
4-[2-[methyl(2-methylbutan-2-yl)amino]ethoxy]aniline
CID 63983501
4-[4-(dimethylamino)butoxy]aniline
CID 11458449
2-(4-aminophenoxy)ethyl-methylcarbamic acid
CID 67422693
N-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 62417571

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl(propyl)amino]ethoxy]aniline?
The IUPAC name of 4-[2-[methyl(propyl)amino]ethoxy]aniline (CID 43270784) is 4-[2-[methyl(propyl)amino]ethoxy]aniline.
What is the SMILES notation for 4-[2-[methyl(propyl)amino]ethoxy]aniline?
The canonical SMILES for 4-[2-[methyl(propyl)amino]ethoxy]aniline is CCCN(C)CCOc1ccc(N)cc1.
What is the InChIKey of 4-[2-[methyl(propyl)amino]ethoxy]aniline?
The InChIKey is SYMIKHKXJAXXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-8-14(2)9-10-15-12-6-4-11(13)5-7-12/h4-7H,3,8-10,13H2,1-2H3.
What are the key properties of 4-[2-[methyl(propyl)amino]ethoxy]aniline?
4-[2-[methyl(propyl)amino]ethoxy]aniline has a molecular weight of 208.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl(propyl)amino]ethoxy]aniline is sourced from PubChem (CID 43270784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).