N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-2,3,6-trimethylaniline

C15H24N2O — CID 115243925

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-2,3,6-trimethylaniline
SMILESCOc1cc(C)c(NCC2(CN)CC2)c(C)c1C
InChIInChI=1S/C15H24N2O/c1-10-7-13(18-4)11(2)12(3)14(10)17-9-15(8-16)5-6-15/h7,17H,5-6,8-9,16H2,1-4H3
InChIKeyTXYLOPYXVCXZRX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.77
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-2,3,6-trimethylaniline

N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-2,3,6-trimethylaniline (PubChem CID 115243925) 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-2,3,6-trimethylaniline.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-2,3,6-trimethylaniline
PubChem CID115243925
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-2,3,6-trimethylaniline
SMILESCOc1cc(C)c(NCC2(CN)CC2)c(C)c1C
InChIInChI=1S/C15H24N2O/c1-10-7-13(18-4)11(2)12(3)14(10)17-9-15(8-16)5-6-15/h7,17H,5-6,8-9,16H2,1-4H3
InChIKeyTXYLOPYXVCXZRX-UHFFFAOYSA-N
XLogP2.77
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
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-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-6-methylaniline
CID 115243916
N'-(4-methoxy-2,3,6-trimethylphenyl)methanediamine
CID 115225481
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine
CID 115244170
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline
CID 115245582
(4-methoxy-2,3,6-trimethylanilino)methanethiol
CID 115227686
2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244536
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-3-methylaniline
CID 115243877
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 115244105
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 115244136
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-fluoro-4-methoxyaniline
CID 115243825
N-(4-methoxy-2,3,6-trimethylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206306
N-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dimethoxy-3-methylaniline
CID 115245612

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-2,3,6-trimethylaniline?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-2,3,6-trimethylaniline (CID 115243925) is N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-2,3,6-trimethylaniline.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-2,3,6-trimethylaniline?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-2,3,6-trimethylaniline is COc1cc(C)c(NCC2(CN)CC2)c(C)c1C.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-2,3,6-trimethylaniline?
The InChIKey is TXYLOPYXVCXZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-7-13(18-4)11(2)12(3)14(10)17-9-15(8-16)5-6-15/h7,17H,5-6,8-9,16H2,1-4H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-2,3,6-trimethylaniline?
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-2,3,6-trimethylaniline has a molecular weight of 248.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-2,3,6-trimethylaniline is sourced from PubChem (CID 115243925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).