(4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride

C12H20ClNO2 — CID 171213822

IUPAC(4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride
SMILESCOc1ccc([C@H](N)CCCO)c(C)c1.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-9-8-10(15-2)5-6-11(9)12(13)4-3-7-14;/h5-6,8,12,14H,3-4,7,13H2,1-2H3;1H/t12-;/m1./s1
InChIKeyVSZNCJPOJFQGLG-UTONKHPSSA-N
MW245.75 g/mol
LogP2.20
Rot. Bonds5

About (4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride

(4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride (PubChem CID 171213822) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is (4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride
PubChem CID171213822
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name(4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride
SMILESCOc1ccc([C@H](N)CCCO)c(C)c1.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-9-8-10(15-2)5-6-11(9)12(13)4-3-7-14;/h5-6,8,12,14H,3-4,7,13H2,1-2H3;1H/t12-;/m1./s1
InChIKeyVSZNCJPOJFQGLG-UTONKHPSSA-N
XLogP2.20
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride
CID 171233420
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
1-(4-methoxy-2-methylphenyl)hexan-1-amine
CID 43125402
(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol
CID 171219632
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171200259
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 171233415
(4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride
CID 171209672
ethyl 5-amino-5-(4-methoxy-2-methylphenyl)pentanoate
CID 82367122
(4S)-4-amino-4-(2-methylphenyl)butan-1-ol;hydrochloride
CID 171229471
3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)propan-1-amine
CID 103148893

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride?
The IUPAC name of (4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride (CID 171213822) is (4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride.
What is the SMILES notation for (4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride?
The canonical SMILES for (4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride is COc1ccc([C@H](N)CCCO)c(C)c1.Cl.
What is the InChIKey of (4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride?
The InChIKey is VSZNCJPOJFQGLG-UTONKHPSSA-N. The full InChI is InChI=1S/C12H19NO2.ClH/c1-9-8-10(15-2)5-6-11(9)12(13)4-3-7-14;/h5-6,8,12,14H,3-4,7,13H2,1-2H3;1H/t12-;/m1./s1.
What are the key properties of (4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride?
(4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride is sourced from PubChem (CID 171213822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).