2-[1-[(3-methoxycyclopentyl)amino]ethyl]naphthalen-1-ol

C18H23NO2 — CID 103083012

IUPAC2-[1-[(3-methoxycyclopentyl)amino]ethyl]naphthalen-1-ol
SMILESCOC1CCC(NC(C)c2ccc3ccccc3c2O)C1
InChIInChI=1S/C18H23NO2/c1-12(19-14-8-9-15(11-14)21-2)16-10-7-13-5-3-4-6-17(13)18(16)20/h3-7,10,12,14-15,19-20H,8-9,11H2,1-2H3
InChIKeyPHGXQWYQYBIXPM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.76
Rot. Bonds4

About 2-[1-[(3-methoxycyclopentyl)amino]ethyl]naphthalen-1-ol

2-[1-[(3-methoxycyclopentyl)amino]ethyl]naphthalen-1-ol (PubChem CID 103083012) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[1-[(3-methoxycyclopentyl)amino]ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-[(3-methoxycyclopentyl)amino]ethyl]naphthalen-1-ol
PubChem CID103083012
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[1-[(3-methoxycyclopentyl)amino]ethyl]naphthalen-1-ol
SMILESCOC1CCC(NC(C)c2ccc3ccccc3c2O)C1
InChIInChI=1S/C18H23NO2/c1-12(19-14-8-9-15(11-14)21-2)16-10-7-13-5-3-4-6-17(13)18(16)20/h3-7,10,12,14-15,19-20H,8-9,11H2,1-2H3
InChIKeyPHGXQWYQYBIXPM-UHFFFAOYSA-N
XLogP3.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(3-methoxycyclobutyl)amino]ethyl]naphthalen-1-ol
CID 104584465
2-[1-[(2-methyloxan-4-yl)amino]ethyl]naphthalen-1-ol
CID 104583725
2-[1-(oxan-3-ylamino)ethyl]naphthalen-1-ol
CID 63360322
5-methoxy-2-[1-[(3-methoxycyclopentyl)amino]ethyl]phenol
CID 103082952
2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol
CID 104584456
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol
CID 79353109
2-[1-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]naphthalen-1-ol
CID 104582701
2-[1-(ethoxyamino)ethyl]naphthalen-1-ol
CID 82709739
3-methoxy-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopentan-1-amine
CID 103082873
N-[1-[1-(2-methylpropoxy)naphthalen-2-yl]ethyl]cyclopropanamine
CID 43475302
2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]naphthalen-1-ol
CID 63294313

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxycyclopentyl)amino]ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-[(3-methoxycyclopentyl)amino]ethyl]naphthalen-1-ol (CID 103083012) is 2-[1-[(3-methoxycyclopentyl)amino]ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-[(3-methoxycyclopentyl)amino]ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-[(3-methoxycyclopentyl)amino]ethyl]naphthalen-1-ol is COC1CCC(NC(C)c2ccc3ccccc3c2O)C1.
What is the InChIKey of 2-[1-[(3-methoxycyclopentyl)amino]ethyl]naphthalen-1-ol?
The InChIKey is PHGXQWYQYBIXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12(19-14-8-9-15(11-14)21-2)16-10-7-13-5-3-4-6-17(13)18(16)20/h3-7,10,12,14-15,19-20H,8-9,11H2,1-2H3.
What are the key properties of 2-[1-[(3-methoxycyclopentyl)amino]ethyl]naphthalen-1-ol?
2-[1-[(3-methoxycyclopentyl)amino]ethyl]naphthalen-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxycyclopentyl)amino]ethyl]naphthalen-1-ol is sourced from PubChem (CID 103083012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).