4-[(2-methoxyethylamino)methyl]aniline

C10H16N2O — CID 22569430

IUPAC4-[(2-methoxyethylamino)methyl]aniline
SMILESCOCCNCc1ccc(N)cc1
InChIInChI=1S/C10H16N2O/c1-13-7-6-12-8-9-2-4-10(11)5-3-9/h2-5,12H,6-8,11H2,1H3
InChIKeyZWKIQKGSORSPTH-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.00
Rot. Bonds5

About 4-[(2-methoxyethylamino)methyl]aniline

4-[(2-methoxyethylamino)methyl]aniline (PubChem CID 22569430) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-[(2-methoxyethylamino)methyl]aniline.

Molecular Properties

Compound Name4-[(2-methoxyethylamino)methyl]aniline
PubChem CID22569430
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-[(2-methoxyethylamino)methyl]aniline
SMILESCOCCNCc1ccc(N)cc1
InChIInChI=1S/C10H16N2O/c1-13-7-6-12-8-9-2-4-10(11)5-3-9/h2-5,12H,6-8,11H2,1H3
InChIKeyZWKIQKGSORSPTH-UHFFFAOYSA-N
XLogP1.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
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N-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 115523365
N'-[(4-aminophenyl)methyl]ethane-1,2-diamine
CID 13286601
N-(2-methoxyethyl)-N'-[(4-methylsulfanylphenyl)methyl]ethane-1,2-diamine
CID 113405500
4-[(2-methoxyethylamino)methyl]-N-methylbenzamide
CID 60732716
2-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methylphenyl)methyl]ethanamine
CID 104561561
N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54810062
2-methoxy-N-[[4-(3-methylsulfonylpropoxy)phenyl]methyl]ethanamine
CID 63190551
N-[(4-butan-2-yloxyphenyl)methyl]-2-methoxyethanamine
CID 54798556
2-methoxy-N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]ethanamine
CID 63807612
N-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine
CID 82927436

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyethylamino)methyl]aniline?
The IUPAC name of 4-[(2-methoxyethylamino)methyl]aniline (CID 22569430) is 4-[(2-methoxyethylamino)methyl]aniline.
What is the SMILES notation for 4-[(2-methoxyethylamino)methyl]aniline?
The canonical SMILES for 4-[(2-methoxyethylamino)methyl]aniline is COCCNCc1ccc(N)cc1.
What is the InChIKey of 4-[(2-methoxyethylamino)methyl]aniline?
The InChIKey is ZWKIQKGSORSPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-13-7-6-12-8-9-2-4-10(11)5-3-9/h2-5,12H,6-8,11H2,1H3.
What are the key properties of 4-[(2-methoxyethylamino)methyl]aniline?
4-[(2-methoxyethylamino)methyl]aniline has a molecular weight of 180.25 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyethylamino)methyl]aniline is sourced from PubChem (CID 22569430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).