(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol

C11H16FNO2 — CID 171219632

IUPAC(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol
SMILESCOc1ccc([C@@H](N)CCCO)c(F)c1
InChIInChI=1S/C11H16FNO2/c1-15-8-4-5-9(10(12)7-8)11(13)3-2-6-14/h4-5,7,11,14H,2-3,6,13H2,1H3/t11-/m0/s1
InChIKeyPZIIUHDXDYTOLS-NSHDSACASA-N
MW213.25 g/mol
LogP1.61
Rot. Bonds5

About (4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol

(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol (PubChem CID 171219632) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is (4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol
PubChem CID171219632
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol
SMILESCOc1ccc([C@@H](N)CCCO)c(F)c1
InChIInChI=1S/C11H16FNO2/c1-15-8-4-5-9(10(12)7-8)11(13)3-2-6-14/h4-5,7,11,14H,2-3,6,13H2,1H3/t11-/m0/s1
InChIKeyPZIIUHDXDYTOLS-NSHDSACASA-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

(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591
(4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride
CID 171209672
(1R)-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171200074
1-(2-fluoro-4-methoxyphenyl)-4-methoxybutan-1-amine
CID 114856693
1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81305340
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
(1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171200097
5-amino-5-(2-fluoro-4-methoxyphenyl)pentanoic acid
CID 43561605
(4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride
CID 171213822
(1S)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171219626
3-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 103397334

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol?
The IUPAC name of (4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol (CID 171219632) is (4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol.
What is the SMILES notation for (4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol?
The canonical SMILES for (4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol is COc1ccc([C@@H](N)CCCO)c(F)c1.
What is the InChIKey of (4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol?
The InChIKey is PZIIUHDXDYTOLS-NSHDSACASA-N. The full InChI is InChI=1S/C11H16FNO2/c1-15-8-4-5-9(10(12)7-8)11(13)3-2-6-14/h4-5,7,11,14H,2-3,6,13H2,1H3/t11-/m0/s1.
What are the key properties of (4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol?
(4S)-4-amino-4-(2-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 (4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 171219632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).