(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride

C11H19ClN2O2 — CID 171210799

IUPAC(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
SMILESCCOc1cc([C@H](N)CN)ccc1OC.Cl
InChIInChI=1S/C11H18N2O2.ClH/c1-3-15-11-6-8(9(13)7-12)4-5-10(11)14-2;/h4-6,9H,3,7,12-13H2,1-2H3;1H/t9-;/m1./s1
InChIKeyUVBJWZTZDZQFKX-SBSPUUFOSA-N
MW246.74 g/mol
LogP1.47
Rot. Bonds5

About (1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride

(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride (PubChem CID 171210799) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is (1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
PubChem CID171210799
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
SMILESCCOc1cc([C@H](N)CN)ccc1OC.Cl
InChIInChI=1S/C11H18N2O2.ClH/c1-3-15-11-6-8(9(13)7-12)4-5-10(11)14-2;/h4-6,9H,3,7,12-13H2,1-2H3;1H/t9-;/m1./s1
InChIKeyUVBJWZTZDZQFKX-SBSPUUFOSA-N
XLogP1.47
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine
CID 66516767
(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171210798
(1R)-1-(3-ethoxy-4-methoxyphenyl)butane-1,4-diamine
CID 171210802
(1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171230415
(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 171212219
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266
(1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 171210806
(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propanenitrile;hydrochloride
CID 171260571
(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol
CID 67175570
(1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171210846
(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine
CID 171212212
3-(3-ethoxy-4-methoxyphenyl)butan-1-amine
CID 116989291

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of (1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride (CID 171210799) is (1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for (1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for (1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride is CCOc1cc([C@H](N)CN)ccc1OC.Cl.
What is the InChIKey of (1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is UVBJWZTZDZQFKX-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H18N2O2.ClH/c1-3-15-11-6-8(9(13)7-12)4-5-10(11)14-2;/h4-6,9H,3,7,12-13H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of (1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride?
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 246.74 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 171210799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).