3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline

C13H20N2O — CID 43263758

IUPAC3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline
SMILESCCN(Cc1cc(N)ccc1OC)C1CC1
InChIInChI=1S/C13H20N2O/c1-3-15(12-5-6-12)9-10-8-11(14)4-7-13(10)16-2/h4,7-8,12H,3,5-6,9,14H2,1-2H3
InChIKeyYRNDVBRCJXZQRS-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.26
Rot. Bonds5

About 3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline

3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline (PubChem CID 43263758) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline.

Molecular Properties

Compound Name3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline
PubChem CID43263758
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline
SMILESCCN(Cc1cc(N)ccc1OC)C1CC1
InChIInChI=1S/C13H20N2O/c1-3-15(12-5-6-12)9-10-8-11(14)4-7-13(10)16-2/h4,7-8,12H,3,5-6,9,14H2,1-2H3
InChIKeyYRNDVBRCJXZQRS-UHFFFAOYSA-N
XLogP2.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
CID 54995976
3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline
CID 43540722
3-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]propanenitrile
CID 54996360
4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 79115454
4-chloro-3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43540735
N-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-amine
CID 60807135
4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline
CID 64768453
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline
CID 62861974
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol
CID 79115913
4-[[cyclohexyl(ethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117404
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-chloro-6-methoxyphenol
CID 104666546
3-(hexoxymethyl)-4-methoxyaniline
CID 43134692

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline?
The IUPAC name of 3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline (CID 43263758) is 3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline.
What is the SMILES notation for 3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline?
The canonical SMILES for 3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline is CCN(Cc1cc(N)ccc1OC)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline?
The InChIKey is YRNDVBRCJXZQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-15(12-5-6-12)9-10-8-11(14)4-7-13(10)16-2/h4,7-8,12H,3,5-6,9,14H2,1-2H3.
What are the key properties of 3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline?
3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline has a molecular weight of 220.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline is sourced from PubChem (CID 43263758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).