(4R)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride

C11H17ClFNO2 — CID 171205896

IUPAC(4R)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride
SMILESCOc1cc([C@H](N)CCCO)ccc1F.Cl
InChIInChI=1S/C11H16FNO2.ClH/c1-15-11-7-8(4-5-9(11)12)10(13)3-2-6-14;/h4-5,7,10,14H,2-3,6,13H2,1H3;1H/t10-;/m1./s1
InChIKeyFJQGUDCDZLWEFL-HNCPQSOCSA-N
MW249.71 g/mol
LogP2.03
Rot. Bonds5

About (4R)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride

(4R)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride (PubChem CID 171205896) has the molecular formula C11H17ClFNO2 and a molecular weight of 249.71 g/mol. Its IUPAC name is (4R)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4R)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride
PubChem CID171205896
Molecular FormulaC11H17ClFNO2
Molecular Weight249.71 g/mol
Exact Mass249.09
IUPAC Name(4R)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride
SMILESCOc1cc([C@H](N)CCCO)ccc1F.Cl
InChIInChI=1S/C11H16FNO2.ClH/c1-15-11-7-8(4-5-9(11)12)10(13)3-2-6-14;/h4-5,7,10,14H,2-3,6,13H2,1H3;1H/t10-;/m1./s1
InChIKeyFJQGUDCDZLWEFL-HNCPQSOCSA-N
XLogP2.03
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.71
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol
CID 171225472
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391
(1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine
CID 171205851
(1R)-1-(4-fluoro-3-methoxyphenyl)pentane-1,5-diamine
CID 171205855
(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride
CID 171225064
(4R)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride
CID 171205490
(4S)-4-amino-4-(4-chloro-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171230755
1-(4-fluoro-3-methoxyphenyl)decan-1-amine
CID 115831321
(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
(4S)-4-amino-4-(4-ethoxy-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171231868
3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 132961318

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride?
The IUPAC name of (4R)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride (CID 171205896) is (4R)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride.
What is the SMILES notation for (4R)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride?
The canonical SMILES for (4R)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride is COc1cc([C@H](N)CCCO)ccc1F.Cl.
What is the InChIKey of (4R)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride?
The InChIKey is FJQGUDCDZLWEFL-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H16FNO2.ClH/c1-15-11-7-8(4-5-9(11)12)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-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride?
(4R)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride has a molecular weight of 249.71 g/mol, XLogP of 2.03, 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-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride is sourced from PubChem (CID 171205896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).