N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-trimethylaniline

C15H24N2O — CID 115243996

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-trimethylaniline
SMILESCOc1c(C)cc(C)cc1N(C)CC1(CN)CC1
InChIInChI=1S/C15H24N2O/c1-11-7-12(2)14(18-4)13(8-11)17(3)10-15(9-16)5-6-15/h7-8H,5-6,9-10,16H2,1-4H3
InChIKeyUDWPAKIBMXAREW-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.49
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-trimethylaniline

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-trimethylaniline (PubChem CID 115243996) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-trimethylaniline.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-trimethylaniline
PubChem CID115243996
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-trimethylaniline
SMILESCOc1c(C)cc(C)cc1N(C)CC1(CN)CC1
InChIInChI=1S/C15H24N2O/c1-11-7-12(2)14(18-4)13(8-11)17(3)10-15(9-16)5-6-15/h7-8H,5-6,9-10,16H2,1-4H3
InChIKeyUDWPAKIBMXAREW-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

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,4,6-trimethylaniline
CID 115244018
[3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248903
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-N,2,3-trimethylaniline
CID 115244001
N'-(2-methoxy-3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
CID 115203086
N'-(2-methoxy-3,5-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252419
N'-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96672556
3-(2-methoxy-N,3,5-trimethylanilino)propanenitrile
CID 115230771
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,4-dimethylaniline
CID 84778072
2-[(2-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221411
[1-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874803
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2,4-trimethylaniline
CID 63740502
2-amino-4-(2-methoxy-N,3,5-trimethylanilino)butanoic acid
CID 115241124

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-trimethylaniline?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-trimethylaniline (CID 115243996) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-trimethylaniline.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-trimethylaniline?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-trimethylaniline is COc1c(C)cc(C)cc1N(C)CC1(CN)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-trimethylaniline?
The InChIKey is UDWPAKIBMXAREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-7-12(2)14(18-4)13(8-11)17(3)10-15(9-16)5-6-15/h7-8H,5-6,9-10,16H2,1-4H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-trimethylaniline?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-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]-2-methoxy-N,3,5-trimethylaniline is sourced from PubChem (CID 115243996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).