[3-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine

C15H23NO — CID 115039781

IUPAC[3-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine
SMILESCCOCC1(c2cccc(CN)c2)CCCC1
InChIInChI=1S/C15H23NO/c1-2-17-12-15(8-3-4-9-15)14-7-5-6-13(10-14)11-16/h5-7,10H,2-4,8-9,11-12,16H2,1H3
InChIKeyPQTXDPLJGWPLOH-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.99
Rot. Bonds5

About [3-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine

[3-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine (PubChem CID 115039781) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is [3-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine
PubChem CID115039781
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name[3-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine
SMILESCCOCC1(c2cccc(CN)c2)CCCC1
InChIInChI=1S/C15H23NO/c1-2-17-12-15(8-3-4-9-15)14-7-5-6-13(10-14)11-16/h5-7,10H,2-4,8-9,11-12,16H2,1H3
InChIKeyPQTXDPLJGWPLOH-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine
CID 115039154
[3-[1-(fluoromethyl)cyclohexyl]phenyl]methanamine
CID 105478163
[2-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine
CID 115039783
[3-(1-methylsulfonylcyclopentyl)phenyl]methanamine
CID 115047146
[3-(1-fluorocyclobutyl)phenyl]methanamine
CID 84718168
1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol
CID 117113390
[3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine
CID 115024182
[3-[(1-fluorocyclopentyl)methyl]phenyl]methanamine
CID 84722438
O-[[1-(3-bromophenyl)cyclopentyl]methyl]hydroxylamine
CID 83693924
[3-[1-(methoxymethyl)cyclopropyl]phenyl]methanol
CID 117115755
[4-[1-(propan-2-yloxymethyl)cyclobutyl]phenyl]methanamine
CID 115039785
[1-(3-phenylmethoxyphenyl)cyclopentyl]methanamine
CID 117451817

Frequently Asked Questions

What is the IUPAC name of [3-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine?
The IUPAC name of [3-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine (CID 115039781) is [3-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine.
What is the SMILES notation for [3-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine?
The canonical SMILES for [3-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine is CCOCC1(c2cccc(CN)c2)CCCC1.
What is the InChIKey of [3-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine?
The InChIKey is PQTXDPLJGWPLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-17-12-15(8-3-4-9-15)14-7-5-6-13(10-14)11-16/h5-7,10H,2-4,8-9,11-12,16H2,1H3.
What are the key properties of [3-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine?
[3-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine has a molecular weight of 233.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine is sourced from PubChem (CID 115039781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).