(4-fluorophenyl)-[2-[(2-methoxyanilino)methyl]-3-pentyl-6-propan-2-yl-4-pyridinyl]methanol

C28H35FN2O2 — CID 57053863

IUPAC(4-fluorophenyl)-[2-[(2-methoxyanilino)methyl]-3-pentyl-6-propan-2-yl-4-pyridinyl]methanol
SMILESCCCCCc1c(C(O)c2ccc(F)cc2)cc(C(C)C)nc1CNc1ccccc1OC
InChIInChI=1S/C28H35FN2O2/c1-5-6-7-10-22-23(28(32)20-13-15-21(29)16-14-20)17-25(19(2)3)31-26(22)18-30-24-11-8-9-12-27(24)33-4/h8-9,11-17,19,28,30,32H,5-7,10,18H2,1-4H3
InChIKeySLMPMQULHUJQSN-UHFFFAOYSA-N
MW450.60 g/mol
LogP6.78
Rot. Bonds11

About (4-fluorophenyl)-[2-[(2-methoxyanilino)methyl]-3-pentyl-6-propan-2-yl-4-pyridinyl]methanol

(4-fluorophenyl)-[2-[(2-methoxyanilino)methyl]-3-pentyl-6-propan-2-yl-4-pyridinyl]methanol (PubChem CID 57053863) has the molecular formula C28H35FN2O2 and a molecular weight of 450.60 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-[(2-methoxyanilino)methyl]-3-pentyl-6-propan-2-yl-4-pyridinyl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-[(2-methoxyanilino)methyl]-3-pentyl-6-propan-2-yl-4-pyridinyl]methanol
PubChem CID57053863
Molecular FormulaC28H35FN2O2
Molecular Weight450.60 g/mol
Exact Mass450.27
IUPAC Name(4-fluorophenyl)-[2-[(2-methoxyanilino)methyl]-3-pentyl-6-propan-2-yl-4-pyridinyl]methanol
SMILESCCCCCc1c(C(O)c2ccc(F)cc2)cc(C(C)C)nc1CNc1ccccc1OC
InChIInChI=1S/C28H35FN2O2/c1-5-6-7-10-22-23(28(32)20-13-15-21(29)16-14-20)17-25(19(2)3)31-26(22)18-30-24-11-8-9-12-27(24)33-4/h8-9,11-17,19,28,30,32H,5-7,10,18H2,1-4H3
InChIKeySLMPMQULHUJQSN-UHFFFAOYSA-N
XLogP6.78
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.60
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4-fluorophenyl)-[2-[(2-methoxyanilino)methyl]-3-pentyl-6-propan-2-yl-4-pyridinyl]methanol with MolForge

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Related Compounds

1-[5-(4-Fluoro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-methoxy-phenyl)-piperazine
CID 13900359
1-[5-(2,6-Difluoro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-methoxy-phenyl)-piperazine
CID 14198550
(2S,4R,5R)-2-[bis(4-fluorophenyl)methyl]-5-[(6-methoxy-3-pyridinyl)methylamino]oxan-4-ol
CID 117642303
2-{2-(4-Fluoro-phenyl)-5-[4-(2-methoxy-phenyl)-piperazin-1-ylmethyl]-pyrrol-1-yl}-ethanol
CID 14198553
2-[[2-(3-Fluorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
CID 135857464
2-[[2-Methoxy-6-[3-(3-methoxyphenyl)-2-methylphenyl]-3-pyridinyl]methylamino]ethanol
CID 166626967
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol
CID 3754494
(2-(4-Methoxyphenyl)-4-quinolinyl)(2-piperidinyl)methanol
CID 409823
(S)-[2-(4-methoxyphenyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol
CID 3246093
(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]ethane-1,2-diol
CID 66806395
(2R)-2-[[3-fluoro-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312335
(2R)-2-[[3-fluoro-6-(2-fluoro-5-propan-2-yloxyphenyl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312406

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-[(2-methoxyanilino)methyl]-3-pentyl-6-propan-2-yl-4-pyridinyl]methanol?
The IUPAC name of (4-fluorophenyl)-[2-[(2-methoxyanilino)methyl]-3-pentyl-6-propan-2-yl-4-pyridinyl]methanol (CID 57053863) is (4-fluorophenyl)-[2-[(2-methoxyanilino)methyl]-3-pentyl-6-propan-2-yl-4-pyridinyl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[2-[(2-methoxyanilino)methyl]-3-pentyl-6-propan-2-yl-4-pyridinyl]methanol?
The canonical SMILES for (4-fluorophenyl)-[2-[(2-methoxyanilino)methyl]-3-pentyl-6-propan-2-yl-4-pyridinyl]methanol is CCCCCc1c(C(O)c2ccc(F)cc2)cc(C(C)C)nc1CNc1ccccc1OC.
What is the InChIKey of (4-fluorophenyl)-[2-[(2-methoxyanilino)methyl]-3-pentyl-6-propan-2-yl-4-pyridinyl]methanol?
The InChIKey is SLMPMQULHUJQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN2O2/c1-5-6-7-10-22-23(28(32)20-13-15-21(29)16-14-20)17-25(19(2)3)31-26(22)18-30-24-11-8-9-12-27(24)33-4/h8-9,11-17,19,28,30,32H,5-7,10,18H2,1-4H3.
What are the key properties of (4-fluorophenyl)-[2-[(2-methoxyanilino)methyl]-3-pentyl-6-propan-2-yl-4-pyridinyl]methanol?
(4-fluorophenyl)-[2-[(2-methoxyanilino)methyl]-3-pentyl-6-propan-2-yl-4-pyridinyl]methanol has a molecular weight of 450.60 g/mol, XLogP of 6.78, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-[(2-methoxyanilino)methyl]-3-pentyl-6-propan-2-yl-4-pyridinyl]methanol is sourced from PubChem (CID 57053863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).