2-methoxy-N-[[1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methyl]ethanamine

C19H31NO — CID 63508203

IUPAC2-methoxy-N-[[1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methyl]ethanamine
SMILESCOCCNCC1(Cc2c(C)cc(C)cc2C)CCCC1
InChIInChI=1S/C19H31NO/c1-15-11-16(2)18(17(3)12-15)13-19(7-5-6-8-19)14-20-9-10-21-4/h11-12,20H,5-10,13-14H2,1-4H3
InChIKeyKHOYTWDYLIAVCL-UHFFFAOYSA-N
MW289.46 g/mol
LogP3.95
Rot. Bonds7

About 2-methoxy-N-[[1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methyl]ethanamine

2-methoxy-N-[[1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methyl]ethanamine (PubChem CID 63508203) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methyl]ethanamine
PubChem CID63508203
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-methoxy-N-[[1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methyl]ethanamine
SMILESCOCCNCC1(Cc2c(C)cc(C)cc2C)CCCC1
InChIInChI=1S/C19H31NO/c1-15-11-16(2)18(17(3)12-15)13-19(7-5-6-8-19)14-20-9-10-21-4/h11-12,20H,5-10,13-14H2,1-4H3
InChIKeyKHOYTWDYLIAVCL-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methyl]ethanamine (CID 63508203) is 2-methoxy-N-[[1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methyl]ethanamine is COCCNCC1(Cc2c(C)cc(C)cc2C)CCCC1.
What is the InChIKey of 2-methoxy-N-[[1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methyl]ethanamine?
The InChIKey is KHOYTWDYLIAVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15-11-16(2)18(17(3)12-15)13-19(7-5-6-8-19)14-20-9-10-21-4/h11-12,20H,5-10,13-14H2,1-4H3.
What are the key properties of 2-methoxy-N-[[1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methyl]ethanamine?
2-methoxy-N-[[1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methyl]ethanamine has a molecular weight of 289.46 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 63508203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).