(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride

C11H18ClNO — CID 171221746

IUPAC(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
SMILESCCOc1ccccc1[C@@H](N)CC.Cl
InChIInChI=1S/C11H17NO.ClH/c1-3-10(12)9-7-5-6-8-11(9)13-4-2;/h5-8,10H,3-4,12H2,1-2H3;1H/t10-;/m0./s1
InChIKeyRCTBAORJGOFOGG-PPHPATTJSA-N
MW215.72 g/mol
LogP2.92
Rot. Bonds4

About (1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride

(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride (PubChem CID 171221746) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is (1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
PubChem CID171221746
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
SMILESCCOc1ccccc1[C@@H](N)CC.Cl
InChIInChI=1S/C11H17NO.ClH/c1-3-10(12)9-7-5-6-8-11(9)13-4-2;/h5-8,10H,3-4,12H2,1-2H3;1H/t10-;/m0./s1
InChIKeyRCTBAORJGOFOGG-PPHPATTJSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
1-(2-ethoxyphenyl)-3-methylpentan-1-amine
CID 115533625
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887
1-(2-decoxyphenyl)propan-1-amine
CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
CID 43129040
ethyl 2-[2-(1-aminopropyl)phenoxy]acetate
CID 60877898
2-[(1R)-1-aminopropyl]-6-ethoxyphenol;hydrochloride
CID 171216004
(1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 63366086
2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide
CID 30076593
(1S)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 78933036

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride (CID 171221746) is (1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride is CCOc1ccccc1[C@@H](N)CC.Cl.
What is the InChIKey of (1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride?
The InChIKey is RCTBAORJGOFOGG-PPHPATTJSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-3-10(12)9-7-5-6-8-11(9)13-4-2;/h5-8,10H,3-4,12H2,1-2H3;1H/t10-;/m0./s1.
What are the key properties of (1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride?
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171221746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).