2-[3-(2-methoxyethylamino)propyl]aniline

C12H20N2O — CID 107274451

IUPAC2-[3-(2-methoxyethylamino)propyl]aniline
SMILESCOCCNCCCc1ccccc1N
InChIInChI=1S/C12H20N2O/c1-15-10-9-14-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,14H,4,6,8-10,13H2,1H3
InChIKeySXANMLNTMBHTDR-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.44
Rot. Bonds7

About 2-[3-(2-methoxyethylamino)propyl]aniline

2-[3-(2-methoxyethylamino)propyl]aniline (PubChem CID 107274451) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-[3-(2-methoxyethylamino)propyl]aniline.

Molecular Properties

Compound Name2-[3-(2-methoxyethylamino)propyl]aniline
PubChem CID107274451
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-[3-(2-methoxyethylamino)propyl]aniline
SMILESCOCCNCCCc1ccccc1N
InChIInChI=1S/C12H20N2O/c1-15-10-9-14-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,14H,4,6,8-10,13H2,1H3
InChIKeySXANMLNTMBHTDR-UHFFFAOYSA-N
XLogP1.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Morpholinomethyl)aniline
CID 776851
2-(o-Toluidino)ethanol
CID 8703
(2-(Morpholin-4-yl)phenyl)methanamine
CID 2776563
2-(2-Ethylanilino)ethanol
CID 251080
Benzenamine, 2-ethyl-N-[(1S)-2-methoxy-1-methylethyl]-6-methyl-
CID 10130489
Benzenamine, N-(2-methoxyethyl)-2,6-dimethyl-
CID 170858
2,6-Dihydroxyethylaminotoluene
CID 10130524
2-Cyclohex-1-enyl-4-morpholin-4-ylmethyl-phenylamine
CID 58994529
Aniline, p-(2-(2-(diethylamino)ethoxy)ethyl)-
CID 33200
Aniline, p-(2-(2-(dimethylamino)ethoxy)ethyl)-
CID 33203
P-Amino-N,alpha-dimethylphenethylamine
CID 95656
1-Methyl-4-(2'-aminophenyl)-1,2,3,6-tetrahydropyridine
CID 130045

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethylamino)propyl]aniline?
The IUPAC name of 2-[3-(2-methoxyethylamino)propyl]aniline (CID 107274451) is 2-[3-(2-methoxyethylamino)propyl]aniline.
What is the SMILES notation for 2-[3-(2-methoxyethylamino)propyl]aniline?
The canonical SMILES for 2-[3-(2-methoxyethylamino)propyl]aniline is COCCNCCCc1ccccc1N.
What is the InChIKey of 2-[3-(2-methoxyethylamino)propyl]aniline?
The InChIKey is SXANMLNTMBHTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-15-10-9-14-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,14H,4,6,8-10,13H2,1H3.
What are the key properties of 2-[3-(2-methoxyethylamino)propyl]aniline?
2-[3-(2-methoxyethylamino)propyl]aniline has a molecular weight of 208.31 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethylamino)propyl]aniline is sourced from PubChem (CID 107274451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).