N-[(2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride

C14H22ClNO2 — CID 2960040

IUPACN-[(2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
SMILESCCOc1ccccc1CNCC1CCCO1.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-2-16-14-8-4-3-6-12(14)10-15-11-13-7-5-9-17-13;/h3-4,6,8,13,15H,2,5,7,9-11H2,1H3;1H
InChIKeyHGXBOWRDOMRBPF-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.78
Rot. Bonds6

About N-[(2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride

N-[(2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride (PubChem CID 2960040) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
PubChem CID2960040
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC NameN-[(2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
SMILESCCOc1ccccc1CNCC1CCCO1.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-2-16-14-8-4-3-6-12(14)10-15-11-13-7-5-9-17-13;/h3-4,6,8,13,15H,2,5,7,9-11H2,1H3;1H
InChIKeyHGXBOWRDOMRBPF-UHFFFAOYSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride (CID 2960040) is N-[(2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride is CCOc1ccccc1CNCC1CCCO1.Cl.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride?
The InChIKey is HGXBOWRDOMRBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.ClH/c1-2-16-14-8-4-3-6-12(14)10-15-11-13-7-5-9-17-13;/h3-4,6,8,13,15H,2,5,7,9-11H2,1H3;1H.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride?
N-[(2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 2960040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).