(4R)-4-amino-4-(4-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride

C11H17BrClNO2 — CID 171204824

IUPAC(4R)-4-amino-4-(4-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride
SMILESCOc1cc(Br)ccc1[C@H](N)CCCO.Cl
InChIInChI=1S/C11H16BrNO2.ClH/c1-15-11-7-8(12)4-5-9(11)10(13)3-2-6-14;/h4-5,7,10,14H,2-3,6,13H2,1H3;1H/t10-;/m1./s1
InChIKeyJHBHHCWQNYVYGQ-HNCPQSOCSA-N
MW310.62 g/mol
LogP2.65
Rot. Bonds5

About (4R)-4-amino-4-(4-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride

(4R)-4-amino-4-(4-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride (PubChem CID 171204824) has the molecular formula C11H17BrClNO2 and a molecular weight of 310.62 g/mol. Its IUPAC name is (4R)-4-amino-4-(4-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4R)-4-amino-4-(4-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride
PubChem CID171204824
Molecular FormulaC11H17BrClNO2
Molecular Weight310.62 g/mol
Exact Mass309.01
IUPAC Name(4R)-4-amino-4-(4-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride
SMILESCOc1cc(Br)ccc1[C@H](N)CCCO.Cl
InChIInChI=1S/C11H16BrNO2.ClH/c1-15-11-7-8(12)4-5-9(11)10(13)3-2-6-14;/h4-5,7,10,14H,2-3,6,13H2,1H3;1H/t10-;/m1./s1
InChIKeyJHBHHCWQNYVYGQ-HNCPQSOCSA-N
XLogP2.65
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.62
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515456
(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515457
1-(4-bromo-2-methoxyphenyl)-5,5-dimethylhexan-1-amine
CID 114210883
(1R)-1-(4-bromo-2-methoxyphenyl)-3-fluoropropan-1-amine
CID 171204798
(1S)-1-(4-bromo-2-methoxyphenyl)-3-fluoropropan-1-amine
CID 171224371
4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol
CID 171200778
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
(1S)-1-(4-bromo-2-methoxyphenyl)-2-fluoroethanamine
CID 131036792
2-[(1R)-1-amino-4-hydroxybutyl]-4-bromo-6-methoxyphenol
CID 171212914
(4R)-4-amino-4-(4-bromo-2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171214742
(1R)-1-(4-bromo-2-methoxyphenyl)pent-4-en-1-amine
CID 171204809
ethyl (3R)-3-amino-3-(4-bromo-2-methoxyphenyl)propanoate;hydrochloride
CID 171204821

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(4-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride?
The IUPAC name of (4R)-4-amino-4-(4-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride (CID 171204824) is (4R)-4-amino-4-(4-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride.
What is the SMILES notation for (4R)-4-amino-4-(4-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride?
The canonical SMILES for (4R)-4-amino-4-(4-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride is COc1cc(Br)ccc1[C@H](N)CCCO.Cl.
What is the InChIKey of (4R)-4-amino-4-(4-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride?
The InChIKey is JHBHHCWQNYVYGQ-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H16BrNO2.ClH/c1-15-11-7-8(12)4-5-9(11)10(13)3-2-6-14;/h4-5,7,10,14H,2-3,6,13H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (4R)-4-amino-4-(4-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride?
(4R)-4-amino-4-(4-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride has a molecular weight of 310.62 g/mol, XLogP of 2.65, 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-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride is sourced from PubChem (CID 171204824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).