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

C11H18N2O2 — CID 66516767

IUPAC(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine
SMILESCCOc1cc([C@H](N)CN)ccc1OC
InChIInChI=1S/C11H18N2O2/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/t9-/m1/s1
InChIKeyVWBTZDSUUWFGCW-SECBINFHSA-N
MW210.28 g/mol
LogP1.05
Rot. Bonds5

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

(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine (PubChem CID 66516767) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine
PubChem CID66516767
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine
SMILESCCOc1cc([C@H](N)CN)ccc1OC
InChIInChI=1S/C11H18N2O2/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/t9-/m1/s1
InChIKeyVWBTZDSUUWFGCW-SECBINFHSA-N
XLogP1.05
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171210799
(1R)-1-(3-ethoxy-4-methoxyphenyl)butane-1,4-diamine
CID 171210802
(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171210798
(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol
CID 67175570
(1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171230415
(1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171210846
(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine
CID 171212212
(1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 171210806
(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 171212219
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266
(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propanenitrile;hydrochloride
CID 171260571
(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutan-1-amine
CID 171210844

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of (1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine (CID 66516767) is (1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for (1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for (1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine is CCOc1cc([C@H](N)CN)ccc1OC.
What is the InChIKey of (1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is VWBTZDSUUWFGCW-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N2O2/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/t9-/m1/s1.
What are the key properties of (1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine?
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 210.28 g/mol, XLogP of 1.05, 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 is sourced from PubChem (CID 66516767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).