N-[[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methyl]ethanamine

C18H30N2O — CID 62259078

IUPACN-[[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1(CN(C)Cc2ccccc2OC)CCCC1
InChIInChI=1S/C18H30N2O/c1-4-19-14-18(11-7-8-12-18)15-20(2)13-16-9-5-6-10-17(16)21-3/h5-6,9-10,19H,4,7-8,11-15H2,1-3H3
InChIKeyDBUCFOFGUVEWAE-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.30
Rot. Bonds8

About N-[[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methyl]ethanamine

N-[[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methyl]ethanamine (PubChem CID 62259078) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methyl]ethanamine
PubChem CID62259078
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1(CN(C)Cc2ccccc2OC)CCCC1
InChIInChI=1S/C18H30N2O/c1-4-19-14-18(11-7-8-12-18)15-20(2)13-16-9-5-6-10-17(16)21-3/h5-6,9-10,19H,4,7-8,11-15H2,1-3H3
InChIKeyDBUCFOFGUVEWAE-UHFFFAOYSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methyl]ethanamine with MolForge

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Related Compounds

[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62265112
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 104794650
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 115249526
N-[[1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclohexyl]methyl]ethanamine
CID 62257869
methyl 1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate
CID 115247629
1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 63142889
[1-[[(2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358929
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylaniline
CID 55051657
4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxane-4-carbaldehyde
CID 62391104
N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62724376
N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
CID 62435578
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 113453870

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methyl]ethanamine (CID 62259078) is N-[[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methyl]ethanamine is CCNCC1(CN(C)Cc2ccccc2OC)CCCC1.
What is the InChIKey of N-[[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methyl]ethanamine?
The InChIKey is DBUCFOFGUVEWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-19-14-18(11-7-8-12-18)15-20(2)13-16-9-5-6-10-17(16)21-3/h5-6,9-10,19H,4,7-8,11-15H2,1-3H3.
What are the key properties of N-[[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methyl]ethanamine?
N-[[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methyl]ethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 62259078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).