N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-N,2,3-trimethylaniline

C15H24N2O — CID 115244001

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-N,2,3-trimethylaniline
SMILESCOc1ccc(N(C)CC2(CN)CC2)c(C)c1C
InChIInChI=1S/C15H24N2O/c1-11-12(2)14(18-4)6-5-13(11)17(3)10-15(9-16)7-8-15/h5-6H,7-10,16H2,1-4H3
InChIKeyGMRHTKLVTGATKO-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.49
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-N,2,3-trimethylaniline

N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-N,2,3-trimethylaniline (PubChem CID 115244001) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-N,2,3-trimethylaniline.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-N,2,3-trimethylaniline
PubChem CID115244001
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-N,2,3-trimethylaniline
SMILESCOc1ccc(N(C)CC2(CN)CC2)c(C)c1C
InChIInChI=1S/C15H24N2O/c1-11-12(2)14(18-4)6-5-13(11)17(3)10-15(9-16)7-8-15/h5-6H,7-10,16H2,1-4H3
InChIKeyGMRHTKLVTGATKO-UHFFFAOYSA-N
XLogP2.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(1-aminocyclopropyl)methyl]-4-methoxy-N,2,3-trimethylaniline
CID 115256537
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-fluoro-4-methoxy-N-methylaniline
CID 115243951
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-trimethylaniline
CID 115243996
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,4,6-trimethylaniline
CID 115244018
3-N-(4-methoxy-2,3-dimethylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119560
3-[(4-methoxy-N,2,3-trimethylanilino)methyl]oxetane-3-carbonitrile
CID 115247896
1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196412
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dichloro-N-methylaniline
CID 115244039
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-5-fluoro-2-methoxy-N-methylaniline
CID 115249298
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,4-dimethylaniline
CID 84778072
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,5-dimethylbenzamide
CID 115272623
N-[[3-(aminomethyl)oxan-3-yl]methyl]-2-methoxy-N-methylaniline
CID 63742093

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-N,2,3-trimethylaniline?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-N,2,3-trimethylaniline (CID 115244001) is N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-N,2,3-trimethylaniline.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-N,2,3-trimethylaniline?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-N,2,3-trimethylaniline is COc1ccc(N(C)CC2(CN)CC2)c(C)c1C.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-N,2,3-trimethylaniline?
The InChIKey is GMRHTKLVTGATKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-12(2)14(18-4)6-5-13(11)17(3)10-15(9-16)7-8-15/h5-6H,7-10,16H2,1-4H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-N,2,3-trimethylaniline?
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-N,2,3-trimethylaniline has a molecular weight of 248.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-N,2,3-trimethylaniline is sourced from PubChem (CID 115244001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).