(2R)-4-(4-fluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol

C18H22FNO2 — CID 173239811

IUPAC(2R)-4-(4-fluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol
SMILESCOc1cccc(CNC[C@H](O)CCc2ccc(F)cc2)c1
InChIInChI=1S/C18H22FNO2/c1-22-18-4-2-3-15(11-18)12-20-13-17(21)10-7-14-5-8-16(19)9-6-14/h2-6,8-9,11,17,20-21H,7,10,12-13H2,1H3/t17-/m1/s1
InChIKeyZGLBFIXMPBDAPL-QGZVFWFLSA-N
MW303.38 g/mol
LogP2.92
Rot. Bonds8

About (2R)-4-(4-fluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol

(2R)-4-(4-fluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol (PubChem CID 173239811) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is (2R)-4-(4-fluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol.

Molecular Properties

Compound Name(2R)-4-(4-fluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol
PubChem CID173239811
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name(2R)-4-(4-fluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol
SMILESCOc1cccc(CNC[C@H](O)CCc2ccc(F)cc2)c1
InChIInChI=1S/C18H22FNO2/c1-22-18-4-2-3-15(11-18)12-20-13-17(21)10-7-14-5-8-16(19)9-6-14/h2-6,8-9,11,17,20-21H,7,10,12-13H2,1H3/t17-/m1/s1
InChIKeyZGLBFIXMPBDAPL-QGZVFWFLSA-N
XLogP2.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol;dihydrochloride
CID 172690704
methyl 4-hydroxy-5-[(3-methoxyphenyl)methylamino]pentanoate
CID 115123590
1-(3-methoxyphenyl)-4-phenylbutan-2-ol
CID 55136240
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
1-(2-ethoxyethoxy)-3-[(3-methoxyphenyl)methylamino]propan-2-ol
CID 60632288
1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60632107
(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol;dihydrochloride
CID 57487215
1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol
CID 63294606
(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 93345240
2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 62315705
1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721134
1-[(3-ethoxyphenyl)methylamino]butan-2-ol
CID 60884367

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-fluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol?
The IUPAC name of (2R)-4-(4-fluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol (CID 173239811) is (2R)-4-(4-fluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol.
What is the SMILES notation for (2R)-4-(4-fluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol?
The canonical SMILES for (2R)-4-(4-fluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol is COc1cccc(CNC[C@H](O)CCc2ccc(F)cc2)c1.
What is the InChIKey of (2R)-4-(4-fluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol?
The InChIKey is ZGLBFIXMPBDAPL-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-22-18-4-2-3-15(11-18)12-20-13-17(21)10-7-14-5-8-16(19)9-6-14/h2-6,8-9,11,17,20-21H,7,10,12-13H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-4-(4-fluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol?
(2R)-4-(4-fluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol has a molecular weight of 303.38 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-fluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol is sourced from PubChem (CID 173239811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).