[2-(dimethylamino)-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]methanol

C19H25FN2O2 — CID 15086846

IUPAC[2-(dimethylamino)-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]methanol
SMILESCOCc1c(C(C)C)nc(N(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C19H25FN2O2/c1-12(2)18-16(11-24-5)17(13-6-8-14(20)9-7-13)15(10-23)19(21-18)22(3)4/h6-9,12,23H,10-11H2,1-5H3
InChIKeyGJPOXVVHXHECBL-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.72
Rot. Bonds6

About [2-(dimethylamino)-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]methanol

[2-(dimethylamino)-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]methanol (PubChem CID 15086846) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is [2-(dimethylamino)-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(dimethylamino)-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]methanol
PubChem CID15086846
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name[2-(dimethylamino)-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]methanol
SMILESCOCc1c(C(C)C)nc(N(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C19H25FN2O2/c1-12(2)18-16(11-24-5)17(13-6-8-14(20)9-7-13)15(10-23)19(21-18)22(3)4/h6-9,12,23H,10-11H2,1-5H3
InChIKeyGJPOXVVHXHECBL-UHFFFAOYSA-N
XLogP3.72
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]methanol?
The IUPAC name of [2-(dimethylamino)-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]methanol (CID 15086846) is [2-(dimethylamino)-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]methanol.
What is the SMILES notation for [2-(dimethylamino)-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]methanol?
The canonical SMILES for [2-(dimethylamino)-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]methanol is COCc1c(C(C)C)nc(N(C)C)c(CO)c1-c1ccc(F)cc1.
What is the InChIKey of [2-(dimethylamino)-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]methanol?
The InChIKey is GJPOXVVHXHECBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-12(2)18-16(11-24-5)17(13-6-8-14(20)9-7-13)15(10-23)19(21-18)22(3)4/h6-9,12,23H,10-11H2,1-5H3.
What are the key properties of [2-(dimethylamino)-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]methanol?
[2-(dimethylamino)-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]methanol has a molecular weight of 332.42 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]methanol is sourced from PubChem (CID 15086846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).