2-[[cyclopropyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]aniline

C16H26N2O — CID 112589927

IUPAC2-[[cyclopropyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]aniline
SMILESCC(C)(C)OCCN(Cc1ccccc1N)C1CC1
InChIInChI=1S/C16H26N2O/c1-16(2,3)19-11-10-18(14-8-9-14)12-13-6-4-5-7-15(13)17/h4-7,14H,8-12,17H2,1-3H3
InChIKeySXZNOEAXTZMIIW-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.05
Rot. Bonds6

About 2-[[cyclopropyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]aniline

2-[[cyclopropyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]aniline (PubChem CID 112589927) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[[cyclopropyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]aniline.

Molecular Properties

Compound Name2-[[cyclopropyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]aniline
PubChem CID112589927
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[[cyclopropyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]aniline
SMILESCC(C)(C)OCCN(Cc1ccccc1N)C1CC1
InChIInChI=1S/C16H26N2O/c1-16(2,3)19-11-10-18(14-8-9-14)12-13-6-4-5-7-15(13)17/h4-7,14H,8-12,17H2,1-3H3
InChIKeySXZNOEAXTZMIIW-UHFFFAOYSA-N
XLogP3.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.05
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-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline
CID 106453568
2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
CID 43460982
2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline
CID 81105780
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43460960
2-[[benzyl(cyclopropyl)amino]methyl]aniline
CID 43460969
2-[[(3,4-dimethylcyclohexyl)-propylamino]methyl]aniline
CID 64738575
3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide
CID 54879017
2-[[cyclopropyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]aniline
CID 82888435
2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline
CID 62265361
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide
CID 61489153
2-[[(2-chloro-4-methylphenyl)methyl-cyclopropylamino]methyl]aniline
CID 106864211
3-[[cyclopropyl(ethyl)amino]methyl]-2-fluoroaniline
CID 107347213

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]aniline?
The IUPAC name of 2-[[cyclopropyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]aniline (CID 112589927) is 2-[[cyclopropyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]aniline.
What is the SMILES notation for 2-[[cyclopropyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]aniline?
The canonical SMILES for 2-[[cyclopropyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]aniline is CC(C)(C)OCCN(Cc1ccccc1N)C1CC1.
What is the InChIKey of 2-[[cyclopropyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]aniline?
The InChIKey is SXZNOEAXTZMIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,3)19-11-10-18(14-8-9-14)12-13-6-4-5-7-15(13)17/h4-7,14H,8-12,17H2,1-3H3.
What are the key properties of 2-[[cyclopropyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]aniline?
2-[[cyclopropyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]aniline is sourced from PubChem (CID 112589927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).