4-methoxy-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]aniline

C16H26N2O — CID 55056003

IUPAC4-methoxy-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]aniline
SMILESCNCC1(CN(C)c2ccc(OC)cc2)CCCC1
InChIInChI=1S/C16H26N2O/c1-17-12-16(10-4-5-11-16)13-18(2)14-6-8-15(19-3)9-7-14/h6-9,17H,4-5,10-13H2,1-3H3
InChIKeyPPQGREDWQNJZCL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.91
Rot. Bonds6

About 4-methoxy-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]aniline

4-methoxy-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]aniline (PubChem CID 55056003) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]aniline
PubChem CID55056003
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-methoxy-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]aniline
SMILESCNCC1(CN(C)c2ccc(OC)cc2)CCCC1
InChIInChI=1S/C16H26N2O/c1-17-12-16(10-4-5-11-16)13-18(2)14-6-8-15(19-3)9-7-14/h6-9,17H,4-5,10-13H2,1-3H3
InChIKeyPPQGREDWQNJZCL-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline
CID 62261141
[1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol
CID 115246801
N,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246100
1-(3-methoxyphenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]methanamine
CID 62270444
3-methoxy-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
CID 62256771
2-methoxy-N,5-dimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246108
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylaniline
CID 55051657
N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline
CID 62259755
4-fluoro-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
CID 63493700
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]propan-2-amine
CID 62263942
2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244616
N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1H-pyrrol-2-amine
CID 115246125

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]aniline?
The IUPAC name of 4-methoxy-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]aniline (CID 55056003) is 4-methoxy-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]aniline.
What is the SMILES notation for 4-methoxy-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]aniline?
The canonical SMILES for 4-methoxy-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]aniline is CNCC1(CN(C)c2ccc(OC)cc2)CCCC1.
What is the InChIKey of 4-methoxy-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]aniline?
The InChIKey is PPQGREDWQNJZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-17-12-16(10-4-5-11-16)13-18(2)14-6-8-15(19-3)9-7-14/h6-9,17H,4-5,10-13H2,1-3H3.
What are the key properties of 4-methoxy-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]aniline?
4-methoxy-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]aniline is sourced from PubChem (CID 55056003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).