4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol

C11H16FNO2 — CID 116861391

IUPAC4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
SMILESCOc1ccc(C(N)CCCO)cc1F
InChIInChI=1S/C11H16FNO2/c1-15-11-5-4-8(7-9(11)12)10(13)3-2-6-14/h4-5,7,10,14H,2-3,6,13H2,1H3
InChIKeyBFZQWXMZBSVLSJ-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.61
Rot. Bonds5

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

4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol (PubChem CID 116861391) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
PubChem CID116861391
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
SMILESCOc1ccc(C(N)CCCO)cc1F
InChIInChI=1S/C11H16FNO2/c1-15-11-5-4-8(7-9(11)12)10(13)3-2-6-14/h4-5,7,10,14H,2-3,6,13H2,1H3
InChIKeyBFZQWXMZBSVLSJ-UHFFFAOYSA-N
XLogP1.61
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.61
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
(4R)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171205896
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
CID 171221010
6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide
CID 60860844
(1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171201487
1-(3-fluoro-4-methoxyphenyl)pentane-1,5-diol
CID 112509946
(4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride
CID 171233352
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
4-ethylsulfonyl-1-(3-fluoro-4-methoxyphenyl)butan-1-amine
CID 104986185
(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol
CID 171225063
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116940504

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol?
The IUPAC name of 4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol (CID 116861391) is 4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol.
What is the SMILES notation for 4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol?
The canonical SMILES for 4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol is COc1ccc(C(N)CCCO)cc1F.
What is the InChIKey of 4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol?
The InChIKey is BFZQWXMZBSVLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-15-11-5-4-8(7-9(11)12)10(13)3-2-6-14/h4-5,7,10,14H,2-3,6,13H2,1H3.
What are the key properties of 4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol?
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol has a molecular weight of 213.25 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 116861391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).