[1-[[4-[2-(oxan-2-yloxy)ethyl]phenyl]methyl]cyclopentyl]methanamine

C20H31NO2 — CID 18999475

IUPAC[1-[[4-[2-(oxan-2-yloxy)ethyl]phenyl]methyl]cyclopentyl]methanamine
SMILESNCC1(Cc2ccc(CCOC3CCCCO3)cc2)CCCC1
InChIInChI=1S/C20H31NO2/c21-16-20(11-2-3-12-20)15-18-8-6-17(7-9-18)10-14-23-19-5-1-4-13-22-19/h6-9,19H,1-5,10-16,21H2
InChIKeyJLRDGPKDQHRNSZ-UHFFFAOYSA-N
MW317.47 g/mol
LogP3.83
Rot. Bonds7

About [1-[[4-[2-(oxan-2-yloxy)ethyl]phenyl]methyl]cyclopentyl]methanamine

[1-[[4-[2-(oxan-2-yloxy)ethyl]phenyl]methyl]cyclopentyl]methanamine (PubChem CID 18999475) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is [1-[[4-[2-(oxan-2-yloxy)ethyl]phenyl]methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[[4-[2-(oxan-2-yloxy)ethyl]phenyl]methyl]cyclopentyl]methanamine
PubChem CID18999475
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name[1-[[4-[2-(oxan-2-yloxy)ethyl]phenyl]methyl]cyclopentyl]methanamine
SMILESNCC1(Cc2ccc(CCOC3CCCCO3)cc2)CCCC1
InChIInChI=1S/C20H31NO2/c21-16-20(11-2-3-12-20)15-18-8-6-17(7-9-18)10-14-23-19-5-1-4-13-22-19/h6-9,19H,1-5,10-16,21H2
InChIKeyJLRDGPKDQHRNSZ-UHFFFAOYSA-N
XLogP3.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[[4-[2-(oxan-2-yloxy)ethyl]phenyl]methyl]cyclopentyl]methanamine with MolForge

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Related Compounds

2,3,4,5,6-pentafluoro-N-[[1-[[4-[2-(oxan-2-yloxy)ethyl]phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide
CID 87241655
[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol
CID 129389896
4-[2-[(2S)-oxan-2-yl]oxyethyl]benzaldehyde
CID 86333516
2-chloro-4-[2-(oxan-2-yloxy)ethyl]phenol
CID 69449644
4-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-1-amine
CID 67378314
4-(2-aminoethyl)-N-[3-(oxan-2-yloxy)propyl]aniline
CID 147793748
2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane
CID 118808170
2-[2-(4-bromophenyl)ethoxy]oxane;[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)silane
CID 159295209
2-[11-[4-(4-phenylphenyl)phenyl]undecoxy]oxane
CID 86055226
4-[6-[(2R)-oxan-2-yl]oxyhexyl]pyridine
CID 129363635
4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine
CID 129363636
2-[4-[[1-(aminomethyl)cyclobutyl]methyl]phenyl]ethanol
CID 67025850

Frequently Asked Questions

What is the IUPAC name of [1-[[4-[2-(oxan-2-yloxy)ethyl]phenyl]methyl]cyclopentyl]methanamine?
The IUPAC name of [1-[[4-[2-(oxan-2-yloxy)ethyl]phenyl]methyl]cyclopentyl]methanamine (CID 18999475) is [1-[[4-[2-(oxan-2-yloxy)ethyl]phenyl]methyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[[4-[2-(oxan-2-yloxy)ethyl]phenyl]methyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[[4-[2-(oxan-2-yloxy)ethyl]phenyl]methyl]cyclopentyl]methanamine is NCC1(Cc2ccc(CCOC3CCCCO3)cc2)CCCC1.
What is the InChIKey of [1-[[4-[2-(oxan-2-yloxy)ethyl]phenyl]methyl]cyclopentyl]methanamine?
The InChIKey is JLRDGPKDQHRNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c21-16-20(11-2-3-12-20)15-18-8-6-17(7-9-18)10-14-23-19-5-1-4-13-22-19/h6-9,19H,1-5,10-16,21H2.
What are the key properties of [1-[[4-[2-(oxan-2-yloxy)ethyl]phenyl]methyl]cyclopentyl]methanamine?
[1-[[4-[2-(oxan-2-yloxy)ethyl]phenyl]methyl]cyclopentyl]methanamine has a molecular weight of 317.47 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-[2-(oxan-2-yloxy)ethyl]phenyl]methyl]cyclopentyl]methanamine is sourced from PubChem (CID 18999475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).