[4-[4-(2-amino-3-fluoropropyl)phenyl]phenyl]methanol;ethane;methanol

C19H28FNO2 — CID 143418287

IUPAC[4-[4-(2-amino-3-fluoropropyl)phenyl]phenyl]methanol;ethane;methanol
SMILESCC.CO.NC(CF)Cc1ccc(-c2ccc(CO)cc2)cc1
InChIInChI=1S/C16H18FNO.C2H6.CH4O/c17-10-16(18)9-12-1-5-14(6-2-12)15-7-3-13(11-19)4-8-15;2*1-2/h1-8,16,19H,9-11,18H2;1-2H3;2H,1H3
InChIKeyCQTGBXXDLXAMFY-UHFFFAOYSA-N
MW321.44 g/mol
LogP3.32
Rot. Bonds5

About [4-[4-(2-amino-3-fluoropropyl)phenyl]phenyl]methanol;ethane;methanol

[4-[4-(2-amino-3-fluoropropyl)phenyl]phenyl]methanol;ethane;methanol (PubChem CID 143418287) has the molecular formula C19H28FNO2 and a molecular weight of 321.44 g/mol. Its IUPAC name is [4-[4-(2-amino-3-fluoropropyl)phenyl]phenyl]methanol;ethane;methanol.

Molecular Properties

Compound Name[4-[4-(2-amino-3-fluoropropyl)phenyl]phenyl]methanol;ethane;methanol
PubChem CID143418287
Molecular FormulaC19H28FNO2
Molecular Weight321.44 g/mol
Exact Mass321.21
IUPAC Name[4-[4-(2-amino-3-fluoropropyl)phenyl]phenyl]methanol;ethane;methanol
SMILESCC.CO.NC(CF)Cc1ccc(-c2ccc(CO)cc2)cc1
InChIInChI=1S/C16H18FNO.C2H6.CH4O/c17-10-16(18)9-12-1-5-14(6-2-12)15-7-3-13(11-19)4-8-15;2*1-2/h1-8,16,19H,9-11,18H2;1-2H3;2H,1H3
InChIKeyCQTGBXXDLXAMFY-UHFFFAOYSA-N
XLogP3.32
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-amino-3-fluoropropyl)phenyl]phenyl]methanol;ethane;methanol?
The IUPAC name of [4-[4-(2-amino-3-fluoropropyl)phenyl]phenyl]methanol;ethane;methanol (CID 143418287) is [4-[4-(2-amino-3-fluoropropyl)phenyl]phenyl]methanol;ethane;methanol.
What is the SMILES notation for [4-[4-(2-amino-3-fluoropropyl)phenyl]phenyl]methanol;ethane;methanol?
The canonical SMILES for [4-[4-(2-amino-3-fluoropropyl)phenyl]phenyl]methanol;ethane;methanol is CC.CO.NC(CF)Cc1ccc(-c2ccc(CO)cc2)cc1.
What is the InChIKey of [4-[4-(2-amino-3-fluoropropyl)phenyl]phenyl]methanol;ethane;methanol?
The InChIKey is CQTGBXXDLXAMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO.C2H6.CH4O/c17-10-16(18)9-12-1-5-14(6-2-12)15-7-3-13(11-19)4-8-15;2*1-2/h1-8,16,19H,9-11,18H2;1-2H3;2H,1H3.
What are the key properties of [4-[4-(2-amino-3-fluoropropyl)phenyl]phenyl]methanol;ethane;methanol?
[4-[4-(2-amino-3-fluoropropyl)phenyl]phenyl]methanol;ethane;methanol has a molecular weight of 321.44 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-amino-3-fluoropropyl)phenyl]phenyl]methanol;ethane;methanol is sourced from PubChem (CID 143418287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).