N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine

C16H25NO2 — CID 54798922

IUPACN-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine
SMILESCCOCCOc1cccc(CNC2CCCC2)c1
InChIInChI=1S/C16H25NO2/c1-2-18-10-11-19-16-9-5-6-14(12-16)13-17-15-7-3-4-8-15/h5-6,9,12,15,17H,2-4,7-8,10-11,13H2,1H3
InChIKeyGPWGVOHEAGWNGS-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.13
Rot. Bonds8

About N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine

N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine (PubChem CID 54798922) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine
PubChem CID54798922
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine
SMILESCCOCCOc1cccc(CNC2CCCC2)c1
InChIInChI=1S/C16H25NO2/c1-2-18-10-11-19-16-9-5-6-14(12-16)13-17-15-7-3-4-8-15/h5-6,9,12,15,17H,2-4,7-8,10-11,13H2,1H3
InChIKeyGPWGVOHEAGWNGS-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.13
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

N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259
N-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 61484058
N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 43807424
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699
3-(2-ethoxyethoxy)-N-[[3-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802131
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-propylcyclohexan-1-amine
CID 112839371
1-(2-ethoxyethoxy)-3-ethylbenzene
CID 60642871
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 17055072
N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine
CID 65070534
N-[(3-ethoxyphenyl)methyl]-1,1-dioxothian-4-amine
CID 60873517

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine?
The IUPAC name of N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine (CID 54798922) is N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine?
The canonical SMILES for N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine is CCOCCOc1cccc(CNC2CCCC2)c1.
What is the InChIKey of N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine?
The InChIKey is GPWGVOHEAGWNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-18-10-11-19-16-9-5-6-14(12-16)13-17-15-7-3-4-8-15/h5-6,9,12,15,17H,2-4,7-8,10-11,13H2,1H3.
What are the key properties of N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine?
N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine has a molecular weight of 263.38 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine is sourced from PubChem (CID 54798922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).