3-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]-2-methylaniline

C15H24N2O — CID 114112981

IUPAC3-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]-2-methylaniline
SMILESCOCCC1(CNCc2cccc(N)c2C)CC1
InChIInChI=1S/C15H24N2O/c1-12-13(4-3-5-14(12)16)10-17-11-15(6-7-15)8-9-18-2/h3-5,17H,6-11,16H2,1-2H3
InChIKeyXABCHLFCJCYJJR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.48
Rot. Bonds7

About 3-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]-2-methylaniline

3-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]-2-methylaniline (PubChem CID 114112981) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]-2-methylaniline.

Molecular Properties

Compound Name3-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]-2-methylaniline
PubChem CID114112981
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]-2-methylaniline
SMILESCOCCC1(CNCc2cccc(N)c2C)CC1
InChIInChI=1S/C15H24N2O/c1-12-13(4-3-5-14(12)16)10-17-11-15(6-7-15)8-9-18-2/h3-5,17H,6-11,16H2,1-2H3
InChIKeyXABCHLFCJCYJJR-UHFFFAOYSA-N
XLogP2.48
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-benzodioxol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802463
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103802421
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802353
1-(1H-indol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802406
2-fluoro-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline
CID 114112982
3-chloro-2-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]phenol
CID 103802319
1-(3-bromophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802419
1-(1-benzothiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802264
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
CID 103802368
1-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylbenzene-1,4-diamine
CID 114112814
3-amino-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzamide
CID 114113192
1-(furan-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 115735952

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]-2-methylaniline?
The IUPAC name of 3-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]-2-methylaniline (CID 114112981) is 3-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]-2-methylaniline.
What is the SMILES notation for 3-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]-2-methylaniline?
The canonical SMILES for 3-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]-2-methylaniline is COCCC1(CNCc2cccc(N)c2C)CC1.
What is the InChIKey of 3-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]-2-methylaniline?
The InChIKey is XABCHLFCJCYJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-13(4-3-5-14(12)16)10-17-11-15(6-7-15)8-9-18-2/h3-5,17H,6-11,16H2,1-2H3.
What are the key properties of 3-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]-2-methylaniline?
3-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]-2-methylaniline has a molecular weight of 248.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]-2-methylaniline is sourced from PubChem (CID 114112981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).