(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride

C12H20ClNO3 — CID 171200259

IUPAC(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
SMILESCOc1ccc(OC)c([C@H](N)CCCO)c1.Cl
InChIInChI=1S/C12H19NO3.ClH/c1-15-9-5-6-12(16-2)10(8-9)11(13)4-3-7-14;/h5-6,8,11,14H,3-4,7,13H2,1-2H3;1H/t11-;/m1./s1
InChIKeyWXQKGXHTDHVCDK-RFVHGSKJSA-N
MW261.75 g/mol
LogP1.90
Rot. Bonds6

About (4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride

(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride (PubChem CID 171200259) has the molecular formula C12H20ClNO3 and a molecular weight of 261.75 g/mol. Its IUPAC name is (4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
PubChem CID171200259
Molecular FormulaC12H20ClNO3
Molecular Weight261.75 g/mol
Exact Mass261.11
IUPAC Name(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
SMILESCOc1ccc(OC)c([C@H](N)CCCO)c1.Cl
InChIInChI=1S/C12H19NO3.ClH/c1-15-9-5-6-12(16-2)10(8-9)11(13)4-3-7-14;/h5-6,8,11,14H,3-4,7,13H2,1-2H3;1H/t11-;/m1./s1
InChIKeyWXQKGXHTDHVCDK-RFVHGSKJSA-N
XLogP1.90
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;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

4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
(4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride
CID 171209672
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
(4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride
CID 171213822
(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol
CID 171219632
(1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171200247
1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine
CID 116934724
(4R)-4-amino-4-(4-bromo-2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171214742
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
(4R)-4-amino-4-(4-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride
CID 171204824

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride?
The IUPAC name of (4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride (CID 171200259) is (4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride.
What is the SMILES notation for (4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride?
The canonical SMILES for (4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride is COc1ccc(OC)c([C@H](N)CCCO)c1.Cl.
What is the InChIKey of (4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride?
The InChIKey is WXQKGXHTDHVCDK-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H19NO3.ClH/c1-15-9-5-6-12(16-2)10(8-9)11(13)4-3-7-14;/h5-6,8,11,14H,3-4,7,13H2,1-2H3;1H/t11-;/m1./s1.
What are the key properties of (4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride?
(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride has a molecular weight of 261.75 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride is sourced from PubChem (CID 171200259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).