[(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride

C10H16ClNO — CID 89251854

IUPAC[(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride
SMILESCCOc1ccc([C@H](C)[NH3+])cc1.[Cl-]
InChIInChI=1S/C10H15NO.ClH/c1-3-12-10-6-4-9(5-7-10)8(2)11;/h4-8H,3,11H2,1-2H3;1H/t8-;/m0./s1
InChIKeySWFKPUQRJHGZGE-QRPNPIFTSA-N
MW201.70 g/mol
LogP-1.61
Rot. Bonds3

About [(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride

[(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride (PubChem CID 89251854) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is [(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride.

Molecular Properties

Compound Name[(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride
PubChem CID89251854
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name[(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride
SMILESCCOc1ccc([C@H](C)[NH3+])cc1.[Cl-]
InChIInChI=1S/C10H15NO.ClH/c1-3-12-10-6-4-9(5-7-10)8(2)11;/h4-8H,3,11H2,1-2H3;1H/t8-;/m0./s1
InChIKeySWFKPUQRJHGZGE-QRPNPIFTSA-N
XLogP-1.61
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 5-1.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-4-(4-methylpentan-2-yl)benzene
CID 57011514
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
1-(1-bromo-2-methylbutyl)-4-ethoxybenzene
CID 63436936
1-(4-ethoxyphenyl)-2-methylbutan-1-amine
CID 12771706
[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]azanium chloride
CID 23004771
amino-(4-ethoxyphenyl)methanol
CID 116939610
2-(4-ethoxyphenyl)pentan-3-amine
CID 79308575
1-ethoxy-4-(2-methyl-1-phenylpropyl)benzene
CID 58493580
1-(4-ethoxyphenyl)ethanesulfonyl chloride
CID 114996226
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
(1S,2R)-1-amino-1-(4-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171266991
1-(1-chloro-4-methylpentan-2-yl)-4-ethoxybenzene
CID 112508540

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride?
The IUPAC name of [(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride (CID 89251854) is [(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride.
What is the SMILES notation for [(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride?
The canonical SMILES for [(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride is CCOc1ccc([C@H](C)[NH3+])cc1.[Cl-].
What is the InChIKey of [(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride?
The InChIKey is SWFKPUQRJHGZGE-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-3-12-10-6-4-9(5-7-10)8(2)11;/h4-8H,3,11H2,1-2H3;1H/t8-;/m0./s1.
What are the key properties of [(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride?
[(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride has a molecular weight of 201.70 g/mol, XLogP of -1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride is sourced from PubChem (CID 89251854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).