2-(aminomethyl)-1-(2-methoxynaphthalen-1-yl)pentan-1-ol

C17H23NO2 — CID 79415266

IUPAC2-(aminomethyl)-1-(2-methoxynaphthalen-1-yl)pentan-1-ol
SMILESCCCC(CN)C(O)c1c(OC)ccc2ccccc12
InChIInChI=1S/C17H23NO2/c1-3-6-13(11-18)17(19)16-14-8-5-4-7-12(14)9-10-15(16)20-2/h4-5,7-10,13,17,19H,3,6,11,18H2,1-2H3
InChIKeyKPFVIXTZCWZNMD-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.26
Rot. Bonds6

About 2-(aminomethyl)-1-(2-methoxynaphthalen-1-yl)pentan-1-ol

2-(aminomethyl)-1-(2-methoxynaphthalen-1-yl)pentan-1-ol (PubChem CID 79415266) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(2-methoxynaphthalen-1-yl)pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(2-methoxynaphthalen-1-yl)pentan-1-ol
PubChem CID79415266
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(aminomethyl)-1-(2-methoxynaphthalen-1-yl)pentan-1-ol
SMILESCCCC(CN)C(O)c1c(OC)ccc2ccccc12
InChIInChI=1S/C17H23NO2/c1-3-6-13(11-18)17(19)16-14-8-5-4-7-12(14)9-10-15(16)20-2/h4-5,7-10,13,17,19H,3,6,11,18H2,1-2H3
InChIKeyKPFVIXTZCWZNMD-UHFFFAOYSA-N
XLogP3.26
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(2-methoxynaphthalen-1-yl)pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(2-methoxynaphthalen-1-yl)pentan-1-ol (CID 79415266) is 2-(aminomethyl)-1-(2-methoxynaphthalen-1-yl)pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(2-methoxynaphthalen-1-yl)pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(2-methoxynaphthalen-1-yl)pentan-1-ol is CCCC(CN)C(O)c1c(OC)ccc2ccccc12.
What is the InChIKey of 2-(aminomethyl)-1-(2-methoxynaphthalen-1-yl)pentan-1-ol?
The InChIKey is KPFVIXTZCWZNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-6-13(11-18)17(19)16-14-8-5-4-7-12(14)9-10-15(16)20-2/h4-5,7-10,13,17,19H,3,6,11,18H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(2-methoxynaphthalen-1-yl)pentan-1-ol?
2-(aminomethyl)-1-(2-methoxynaphthalen-1-yl)pentan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(2-methoxynaphthalen-1-yl)pentan-1-ol is sourced from PubChem (CID 79415266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).