N-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride

C16H20ClNO — CID 6460057

IUPACN-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride
SMILESCCNCCOc1ccccc1-c1ccccc1.Cl
InChIInChI=1S/C16H19NO.ClH/c1-2-17-12-13-18-16-11-7-6-10-15(16)14-8-4-3-5-9-14;/h3-11,17H,2,12-13H2,1H3;1H
InChIKeyHRWDCVNMYDINKI-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.76
Rot. Bonds6

About N-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride

N-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride (PubChem CID 6460057) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is N-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride
PubChem CID6460057
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC NameN-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride
SMILESCCNCCOc1ccccc1-c1ccccc1.Cl
InChIInChI=1S/C16H19NO.ClH/c1-2-17-12-13-18-16-11-7-6-10-15(16)14-8-4-3-5-9-14;/h3-11,17H,2,12-13H2,1H3;1H
InChIKeyHRWDCVNMYDINKI-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[2-(2-phenylphenoxy)ethyl]ethanamine
CID 2299314
2-methyl-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine
CID 62449849
(2S)-1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol
CID 2233000
oxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine
CID 2923477
N-ethyl-2-(2-propoxyphenoxy)ethanamine
CID 6459111
3-(2-phenylphenoxy)-N-propan-2-ylpropan-1-amine
CID 29016000
3-methoxy-N-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2298387
1-octadecoxy-2-phenylbenzene
CID 70983974
N-methyl-5-(2-phenylphenoxy)pentan-1-amine
CID 3079490
N'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine
CID 2299976
N-ethyl-2-(2-prop-2-enoxyphenoxy)ethanamine;hydrochloride
CID 6458959
2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride?
The IUPAC name of N-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride (CID 6460057) is N-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride.
What is the SMILES notation for N-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride?
The canonical SMILES for N-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride is CCNCCOc1ccccc1-c1ccccc1.Cl.
What is the InChIKey of N-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride?
The InChIKey is HRWDCVNMYDINKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.ClH/c1-2-17-12-13-18-16-11-7-6-10-15(16)14-8-4-3-5-9-14;/h3-11,17H,2,12-13H2,1H3;1H.
What are the key properties of N-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride?
N-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride is sourced from PubChem (CID 6460057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).