N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride

C17H22ClNO2 — CID 18793114

IUPACN-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
SMILESCc1ccc(OCCNCCOc2ccccc2)cc1.Cl
InChIInChI=1S/C17H21NO2.ClH/c1-15-7-9-17(10-8-15)20-14-12-18-11-13-19-16-5-3-2-4-6-16;/h2-10,18H,11-14H2,1H3;1H
InChIKeyIAALERUFUIMSSX-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.46
Rot. Bonds8

About N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride

N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride (PubChem CID 18793114) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
PubChem CID18793114
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC NameN-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
SMILESCc1ccc(OCCNCCOc2ccccc2)cc1.Cl
InChIInChI=1S/C17H21NO2.ClH/c1-15-7-9-17(10-8-15)20-14-12-18-11-13-19-16-5-3-2-4-6-16;/h2-10,18H,11-14H2,1H3;1H
InChIKeyIAALERUFUIMSSX-UHFFFAOYSA-N
XLogP3.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N-[2-(4-methylphenyl)sulfanylethyl]-3-phenoxypropan-1-amine;hydrochloride
CID 18793106
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
N-[2-[4-(4-methylphenyl)phenoxy]ethyl]propan-1-amine
CID 63516073
3-(4-methylphenoxy)-N-propylpropan-1-amine
CID 29015066
N-(2-fluoroethyl)-2-phenoxyethanamine
CID 80694190
N-methyl-3-phenoxypropan-1-amine
CID 22067856
N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800838
1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
CID 174678575
N',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine
CID 2966313
(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine
CID 81357239

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride?
The IUPAC name of N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride (CID 18793114) is N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride.
What is the SMILES notation for N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride?
The canonical SMILES for N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride is Cc1ccc(OCCNCCOc2ccccc2)cc1.Cl.
What is the InChIKey of N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride?
The InChIKey is IAALERUFUIMSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2.ClH/c1-15-7-9-17(10-8-15)20-14-12-18-11-13-19-16-5-3-2-4-6-16;/h2-10,18H,11-14H2,1H3;1H.
What are the key properties of N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride?
N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride has a molecular weight of 307.82 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride is sourced from PubChem (CID 18793114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).