(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride

C12H20ClNO2 — CID 171212219

IUPAC(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
SMILESCCOc1ccc([C@H](N)CC)cc1OC.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-4-10(13)9-6-7-11(15-5-2)12(8-9)14-3;/h6-8,10H,4-5,13H2,1-3H3;1H/t10-;/m1./s1
InChIKeyUFCZGEZDBZOPOM-HNCPQSOCSA-N
MW245.75 g/mol
LogP2.93
Rot. Bonds5

About (1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride

(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride (PubChem CID 171212219) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is (1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
PubChem CID171212219
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
SMILESCCOc1ccc([C@H](N)CC)cc1OC.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-4-10(13)9-6-7-11(15-5-2)12(8-9)14-3;/h6-8,10H,4-5,13H2,1-3H3;1H/t10-;/m1./s1
InChIKeyUFCZGEZDBZOPOM-HNCPQSOCSA-N
XLogP2.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086
(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine
CID 171212212
(4S)-4-amino-4-(4-ethoxy-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171231868
(1S)-1-(4-ethoxy-3-methoxyphenyl)butane-1,4-diamine
CID 171231816
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171210799
(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171210798
(1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171250432
(1S)-1-(4-ethoxy-3-methoxyphenyl)pentane-1,5-diamine
CID 171231818
3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 170875743
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine
CID 66516767
(1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171230415

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride (CID 171212219) is (1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride is CCOc1ccc([C@H](N)CC)cc1OC.Cl.
What is the InChIKey of (1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride?
The InChIKey is UFCZGEZDBZOPOM-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H19NO2.ClH/c1-4-10(13)9-6-7-11(15-5-2)12(8-9)14-3;/h6-8,10H,4-5,13H2,1-3H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride?
(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171212219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).