N-[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclopentyl)methyl]ethanamine

C18H29NO2 — CID 105035384

IUPACN-[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1ccccc1OCCOC)C1(C)CCCC1
InChIInChI=1S/C18H29NO2/c1-4-19-17(18(2)11-7-8-12-18)15-9-5-6-10-16(15)21-14-13-20-3/h5-6,9-10,17,19H,4,7-8,11-14H2,1-3H3
InChIKeyIWWPTXBFTXVTMH-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.94
Rot. Bonds8

About N-[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclopentyl)methyl]ethanamine

N-[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclopentyl)methyl]ethanamine (PubChem CID 105035384) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclopentyl)methyl]ethanamine
PubChem CID105035384
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1ccccc1OCCOC)C1(C)CCCC1
InChIInChI=1S/C18H29NO2/c1-4-19-17(18(2)11-7-8-12-18)15-9-5-6-10-16(15)21-14-13-20-3/h5-6,9-10,17,19H,4,7-8,11-14H2,1-3H3
InChIKeyIWWPTXBFTXVTMH-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclohexyl)methyl]hydrazine
CID 106831356
N-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine
CID 104660529
1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 104660580
N-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 115801708
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660193
N-[[2-(2-methoxyethoxy)phenyl]-(2-methylcyclopropyl)methyl]ethanamine
CID 104660326
N-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine
CID 82811953
(1-methoxycyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 116753305
N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yloxyethanamine
CID 105180537
N-ethyl-2-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 116719019
N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine
CID 105035305
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 105180487

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclopentyl)methyl]ethanamine (CID 105035384) is N-[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclopentyl)methyl]ethanamine is CCNC(c1ccccc1OCCOC)C1(C)CCCC1.
What is the InChIKey of N-[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclopentyl)methyl]ethanamine?
The InChIKey is IWWPTXBFTXVTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-19-17(18(2)11-7-8-12-18)15-9-5-6-10-16(15)21-14-13-20-3/h5-6,9-10,17,19H,4,7-8,11-14H2,1-3H3.
What are the key properties of N-[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclopentyl)methyl]ethanamine?
N-[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclopentyl)methyl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 105035384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).