(1S)-1-(3-ethoxyphenyl)ethanamine;hydrochloride

C10H16ClNO — CID 45072379

IUPAC(1S)-1-(3-ethoxyphenyl)ethanamine;hydrochloride
SMILESCCOc1cccc([C@H](C)N)c1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-3-12-10-6-4-5-9(7-10)8(2)11;/h4-8H,3,11H2,1-2H3;1H/t8-;/m0./s1
InChIKeyUYWPZDCMKKGEQP-QRPNPIFTSA-N
MW201.70 g/mol
LogP2.53
Rot. Bonds3

About (1S)-1-(3-ethoxyphenyl)ethanamine;hydrochloride

(1S)-1-(3-ethoxyphenyl)ethanamine;hydrochloride (PubChem CID 45072379) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is (1S)-1-(3-ethoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(3-ethoxyphenyl)ethanamine;hydrochloride
PubChem CID45072379
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name(1S)-1-(3-ethoxyphenyl)ethanamine;hydrochloride
SMILESCCOc1cccc([C@H](C)N)c1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-3-12-10-6-4-5-9(7-10)8(2)11;/h4-8H,3,11H2,1-2H3;1H/t8-;/m0./s1
InChIKeyUYWPZDCMKKGEQP-QRPNPIFTSA-N
XLogP2.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-ethoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-1-(3-ethoxyphenyl)ethanamine;hydrochloride (CID 45072379) is (1S)-1-(3-ethoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(3-ethoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(3-ethoxyphenyl)ethanamine;hydrochloride is CCOc1cccc([C@H](C)N)c1.Cl.
What is the InChIKey of (1S)-1-(3-ethoxyphenyl)ethanamine;hydrochloride?
The InChIKey is UYWPZDCMKKGEQP-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-3-12-10-6-4-5-9(7-10)8(2)11;/h4-8H,3,11H2,1-2H3;1H/t8-;/m0./s1.
What are the key properties of (1S)-1-(3-ethoxyphenyl)ethanamine;hydrochloride?
(1S)-1-(3-ethoxyphenyl)ethanamine;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-ethoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 45072379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).