2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline

C16H26N2O — CID 115244616

IUPAC2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
SMILESCNCC1(CN(C)c2cc(C)c(C)cc2OC)CC1
InChIInChI=1S/C16H26N2O/c1-12-8-14(15(19-5)9-13(12)2)18(4)11-16(6-7-16)10-17-3/h8-9,17H,6-7,10-11H2,1-5H3
InChIKeyUPEJUPFYKFOPNP-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.75
Rot. Bonds6

About 2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline

2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline (PubChem CID 115244616) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline.

Molecular Properties

Compound Name2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
PubChem CID115244616
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
SMILESCNCC1(CN(C)c2cc(C)c(C)cc2OC)CC1
InChIInChI=1S/C16H26N2O/c1-12-8-14(15(19-5)9-13(12)2)18(4)11-16(6-7-16)10-17-3/h8-9,17H,6-7,10-11H2,1-5H3
InChIKeyUPEJUPFYKFOPNP-UHFFFAOYSA-N
XLogP2.75
TPSA24.50 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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N,5-dimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246108
[1-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropyl]methanol
CID 115243345
2-methoxy-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline
CID 62260099
(2-methoxy-N,4,5-trimethylanilino)methanethiol
CID 115227745
N-(bromomethyl)-2-methoxy-N,4,5-trimethylaniline
CID 115261698
N,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246100
2-fluoro-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244661
2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244536
N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]aniline
CID 62391682
2-methoxy-N,N,4,5-tetramethylaniline
CID 117043608
N'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96674694
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-N,2,3-trimethylaniline
CID 115244001

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline?
The IUPAC name of 2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline (CID 115244616) is 2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline.
What is the SMILES notation for 2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline?
The canonical SMILES for 2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline is CNCC1(CN(C)c2cc(C)c(C)cc2OC)CC1.
What is the InChIKey of 2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline?
The InChIKey is UPEJUPFYKFOPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-8-14(15(19-5)9-13(12)2)18(4)11-16(6-7-16)10-17-3/h8-9,17H,6-7,10-11H2,1-5H3.
What are the key properties of 2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline?
2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline is sourced from PubChem (CID 115244616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).