2-[(2-cyclopropylethylamino)methyl]-4-methoxyaniline

C13H20N2O — CID 115414217

IUPAC2-[(2-cyclopropylethylamino)methyl]-4-methoxyaniline
SMILESCOc1ccc(N)c(CNCCC2CC2)c1
InChIInChI=1S/C13H20N2O/c1-16-12-4-5-13(14)11(8-12)9-15-7-6-10-2-3-10/h4-5,8,10,15H,2-3,6-7,9,14H2,1H3
InChIKeyINWRRIODZGWKEM-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.17
Rot. Bonds6

About 2-[(2-cyclopropylethylamino)methyl]-4-methoxyaniline

2-[(2-cyclopropylethylamino)methyl]-4-methoxyaniline (PubChem CID 115414217) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[(2-cyclopropylethylamino)methyl]-4-methoxyaniline.

Molecular Properties

Compound Name2-[(2-cyclopropylethylamino)methyl]-4-methoxyaniline
PubChem CID115414217
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[(2-cyclopropylethylamino)methyl]-4-methoxyaniline
SMILESCOc1ccc(N)c(CNCCC2CC2)c1
InChIInChI=1S/C13H20N2O/c1-16-12-4-5-13(14)11(8-12)9-15-7-6-10-2-3-10/h4-5,8,10,15H,2-3,6-7,9,14H2,1H3
InChIKeyINWRRIODZGWKEM-UHFFFAOYSA-N
XLogP2.17
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.17
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

N-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 65323609
2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline
CID 115413842
2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol
CID 115639474
2-[[2-(4-methylcyclohexyl)ethylamino]methyl]aniline
CID 66419053
2-[(cyclopropylmethylamino)methyl]benzene-1,4-diamine
CID 22662370
2-cyclopentyl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 60733123
2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
2-(2-cyclobutylethoxy)-4-methoxyaniline
CID 106199765
2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 107852145
N-[2-(2-amino-5-methoxyphenyl)ethyl]-3-fluoro-1-methylpiperidin-4-amine
CID 90185699
2-(butylaminomethyl)-5-methoxyaniline
CID 115413844
N-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine
CID 63450398

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropylethylamino)methyl]-4-methoxyaniline?
The IUPAC name of 2-[(2-cyclopropylethylamino)methyl]-4-methoxyaniline (CID 115414217) is 2-[(2-cyclopropylethylamino)methyl]-4-methoxyaniline.
What is the SMILES notation for 2-[(2-cyclopropylethylamino)methyl]-4-methoxyaniline?
The canonical SMILES for 2-[(2-cyclopropylethylamino)methyl]-4-methoxyaniline is COc1ccc(N)c(CNCCC2CC2)c1.
What is the InChIKey of 2-[(2-cyclopropylethylamino)methyl]-4-methoxyaniline?
The InChIKey is INWRRIODZGWKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-12-4-5-13(14)11(8-12)9-15-7-6-10-2-3-10/h4-5,8,10,15H,2-3,6-7,9,14H2,1H3.
What are the key properties of 2-[(2-cyclopropylethylamino)methyl]-4-methoxyaniline?
2-[(2-cyclopropylethylamino)methyl]-4-methoxyaniline has a molecular weight of 220.32 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropylethylamino)methyl]-4-methoxyaniline is sourced from PubChem (CID 115414217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).