(4R)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride

C12H20ClNO2 — CID 171205490

IUPAC(4R)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride
SMILESCOc1cc([C@H](N)CCCO)ccc1C.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-9-5-6-10(8-12(9)15-2)11(13)4-3-7-14;/h5-6,8,11,14H,3-4,7,13H2,1-2H3;1H/t11-;/m1./s1
InChIKeyXBRJBGBLTXOYJM-RFVHGSKJSA-N
MW245.75 g/mol
LogP2.20
Rot. Bonds5

About (4R)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride

(4R)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride (PubChem CID 171205490) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is (4R)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4R)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride
PubChem CID171205490
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name(4R)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride
SMILESCOc1cc([C@H](N)CCCO)ccc1C.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-9-5-6-10(8-12(9)15-2)11(13)4-3-7-14;/h5-6,8,11,14H,3-4,7,13H2,1-2H3;1H/t11-;/m1./s1
InChIKeyXBRJBGBLTXOYJM-RFVHGSKJSA-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

(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride
CID 171225064
(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol
CID 171225063
(4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride
CID 171233352
(4R)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171205896
(4S)-4-amino-4-(4-chloro-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171230755
1-(3-methoxy-4-methylphenyl)decan-1-amine
CID 115831533
(4S)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol
CID 171225472
(4S)-4-amino-4-(4-ethoxy-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171231868
4-[(1R)-1-amino-4-hydroxybutyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199826
3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 132961318
1-(3-methoxy-4-methylphenyl)hex-5-yn-1-amine
CID 105033862
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride?
The IUPAC name of (4R)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride (CID 171205490) is (4R)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride.
What is the SMILES notation for (4R)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride?
The canonical SMILES for (4R)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride is COc1cc([C@H](N)CCCO)ccc1C.Cl.
What is the InChIKey of (4R)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride?
The InChIKey is XBRJBGBLTXOYJM-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H19NO2.ClH/c1-9-5-6-10(8-12(9)15-2)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-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride?
(4R)-4-amino-4-(3-methoxy-4-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-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride is sourced from PubChem (CID 171205490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).