2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclopentan-1-amine

C17H27NO3 — CID 63278271

IUPAC2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclopentan-1-amine
SMILESCOc1cc(C(C)NC2CCCC2C)cc(OC)c1OC
InChIInChI=1S/C17H27NO3/c1-11-7-6-8-14(11)18-12(2)13-9-15(19-3)17(21-5)16(10-13)20-4/h9-12,14,18H,6-8H2,1-5H3
InChIKeyKEURKPGBEVBCMB-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.55
Rot. Bonds6

About 2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclopentan-1-amine

2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclopentan-1-amine (PubChem CID 63278271) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclopentan-1-amine
PubChem CID63278271
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclopentan-1-amine
SMILESCOc1cc(C(C)NC2CCCC2C)cc(OC)c1OC
InChIInChI=1S/C17H27NO3/c1-11-7-6-8-14(11)18-12(2)13-9-15(19-3)17(21-5)16(10-13)20-4/h9-12,14,18H,6-8H2,1-5H3
InChIKeyKEURKPGBEVBCMB-UHFFFAOYSA-N
XLogP3.55
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclopentan-1-amine (CID 63278271) is 2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclopentan-1-amine is COc1cc(C(C)NC2CCCC2C)cc(OC)c1OC.
What is the InChIKey of 2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclopentan-1-amine?
The InChIKey is KEURKPGBEVBCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-11-7-6-8-14(11)18-12(2)13-9-15(19-3)17(21-5)16(10-13)20-4/h9-12,14,18H,6-8H2,1-5H3.
What are the key properties of 2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclopentan-1-amine?
2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclopentan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 63278271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).