2-[4-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]phenyl]ethanamine;hydrochloride

C23H26ClNO2 — CID 172910530

IUPAC2-[4-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]phenyl]ethanamine;hydrochloride
SMILESCl.NCCc1ccc(-c2c(OCC3CCCO3)ccc3ccccc23)cc1
InChIInChI=1S/C23H25NO2.ClH/c24-14-13-17-7-9-19(10-8-17)23-21-6-2-1-4-18(21)11-12-22(23)26-16-20-5-3-15-25-20;/h1-2,4,6-12,20H,3,5,13-16,24H2;1H
InChIKeyKFPKUSZKTFVOJY-UHFFFAOYSA-N
MW383.92 g/mol
LogP4.99
Rot. Bonds6

About 2-[4-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]phenyl]ethanamine;hydrochloride

2-[4-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]phenyl]ethanamine;hydrochloride (PubChem CID 172910530) has the molecular formula C23H26ClNO2 and a molecular weight of 383.92 g/mol. Its IUPAC name is 2-[4-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]phenyl]ethanamine;hydrochloride
PubChem CID172910530
Molecular FormulaC23H26ClNO2
Molecular Weight383.92 g/mol
Exact Mass383.17
IUPAC Name2-[4-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]phenyl]ethanamine;hydrochloride
SMILESCl.NCCc1ccc(-c2c(OCC3CCCO3)ccc3ccccc23)cc1
InChIInChI=1S/C23H25NO2.ClH/c24-14-13-17-7-9-19(10-8-17)23-21-6-2-1-4-18(21)11-12-22(23)26-16-20-5-3-15-25-20;/h1-2,4,6-12,20H,3,5,13-16,24H2;1H
InChIKeyKFPKUSZKTFVOJY-UHFFFAOYSA-N
XLogP4.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine
CID 60905678
4-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]benzamide
CID 172666445
N,N-dimethyl-4-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]benzamide
CID 175640506
2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 86159181
1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine
CID 54847849
2-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 60904754
N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 54804932
[4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine
CID 43174548
N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine
CID 54849922
2-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 60905797
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine
CID 54848963

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]phenyl]ethanamine;hydrochloride?
The IUPAC name of 2-[4-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]phenyl]ethanamine;hydrochloride (CID 172910530) is 2-[4-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[4-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]phenyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[4-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]phenyl]ethanamine;hydrochloride is Cl.NCCc1ccc(-c2c(OCC3CCCO3)ccc3ccccc23)cc1.
What is the InChIKey of 2-[4-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]phenyl]ethanamine;hydrochloride?
The InChIKey is KFPKUSZKTFVOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2.ClH/c24-14-13-17-7-9-19(10-8-17)23-21-6-2-1-4-18(21)11-12-22(23)26-16-20-5-3-15-25-20;/h1-2,4,6-12,20H,3,5,13-16,24H2;1H.
What are the key properties of 2-[4-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]phenyl]ethanamine;hydrochloride?
2-[4-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]phenyl]ethanamine;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 172910530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).