(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine

C12H20N2O2 — CID 171212212

IUPAC(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine
SMILESCCOc1ccc([C@H](N)CCN)cc1OC
InChIInChI=1S/C12H20N2O2/c1-3-16-11-5-4-9(8-12(11)15-2)10(14)6-7-13/h4-5,8,10H,3,6-7,13-14H2,1-2H3/t10-/m1/s1
InChIKeyVNLIZBVCTROMNW-SNVBAGLBSA-N
MW224.30 g/mol
LogP1.44
Rot. Bonds6

About (1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine

(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine (PubChem CID 171212212) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine
PubChem CID171212212
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine
SMILESCCOc1ccc([C@H](N)CCN)cc1OC
InChIInChI=1S/C12H20N2O2/c1-3-16-11-5-4-9(8-12(11)15-2)10(14)6-7-13/h4-5,8,10H,3,6-7,13-14H2,1-2H3/t10-/m1/s1
InChIKeyVNLIZBVCTROMNW-SNVBAGLBSA-N
XLogP1.44
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(4-ethoxy-3-methoxyphenyl)butane-1,4-diamine
CID 171231816
(1S)-1-(4-ethoxy-3-methoxyphenyl)pentane-1,5-diamine
CID 171231818
(1R)-1-(3-ethoxy-4-methoxyphenyl)butane-1,4-diamine
CID 171210802
(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 171212219
(4S)-4-amino-4-(4-ethoxy-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171231868
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine
CID 66516767
1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
CID 116932779
(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
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171210799

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine?
The IUPAC name of (1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine (CID 171212212) is (1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for (1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine?
The canonical SMILES for (1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine is CCOc1ccc([C@H](N)CCN)cc1OC.
What is the InChIKey of (1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine?
The InChIKey is VNLIZBVCTROMNW-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-16-11-5-4-9(8-12(11)15-2)10(14)6-7-13/h4-5,8,10H,3,6-7,13-14H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine?
(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine has a molecular weight of 224.30 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 171212212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).