N-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine

C15H23NO4 — CID 83228531

IUPACN-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(OC)cc1CNOC1CCCC1
InChIInChI=1S/C15H23NO4/c1-17-13-9-15(19-3)14(18-2)8-11(13)10-16-20-12-6-4-5-7-12/h8-9,12,16H,4-7,10H2,1-3H3
InChIKeyYRTDCIUQTNUIIB-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.68
Rot. Bonds7

About N-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine

N-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine (PubChem CID 83228531) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine
PubChem CID83228531
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(OC)cc1CNOC1CCCC1
InChIInChI=1S/C15H23NO4/c1-17-13-9-15(19-3)14(18-2)8-11(13)10-16-20-12-6-4-5-7-12/h8-9,12,16H,4-7,10H2,1-3H3
InChIKeyYRTDCIUQTNUIIB-UHFFFAOYSA-N
XLogP2.68
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine
CID 83228718
N-cyclopentyloxy-1-(2-methoxyphenyl)methanamine
CID 83229129
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine
CID 787242
1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43317257
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine;hydrobromide
CID 75531363
1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43298524
N-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 113453577
2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol
CID 83229458
N-cyclopentyloxy-1-(3,5-dimethoxyphenyl)methanamine
CID 83229472
N-[(2-methylpropan-2-yl)oxy]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 82719803
1,1-dicyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 28660596
N-cyclopentyloxy-1-(2-methoxynaphthalen-1-yl)methanamine
CID 83229536

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of N-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine (CID 83228531) is N-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for N-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine is COc1cc(OC)c(OC)cc1CNOC1CCCC1.
What is the InChIKey of N-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine?
The InChIKey is YRTDCIUQTNUIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-17-13-9-15(19-3)14(18-2)8-11(13)10-16-20-12-6-4-5-7-12/h8-9,12,16H,4-7,10H2,1-3H3.
What are the key properties of N-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine?
N-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine has a molecular weight of 281.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 83228531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).