1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol

C17H20FNO — CID 82313108

IUPAC1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol
SMILESCc1ccc(CNC(C)C(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNO/c1-12-3-5-14(6-4-12)11-19-13(2)17(20)15-7-9-16(18)10-8-15/h3-10,13,17,19-20H,11H2,1-2H3
InChIKeyRNGAUNBFQDMSBK-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.35
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol

1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol (PubChem CID 82313108) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol
PubChem CID82313108
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol
SMILESCc1ccc(CNC(C)C(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNO/c1-12-3-5-14(6-4-12)11-19-13(2)17(20)15-7-9-16(18)10-8-15/h3-10,13,17,19-20H,11H2,1-2H3
InChIKeyRNGAUNBFQDMSBK-UHFFFAOYSA-N
XLogP3.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(4-fluorophenyl)methylamino]-1-hydroxypropyl]-2-methylphenol
CID 110184271
1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol
CID 82312509
1-(4-fluorophenyl)-2-[(4-methyl-3-nitrophenyl)methylamino]propan-1-ol
CID 111422148
3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one
CID 12625681
2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride
CID 76974190
1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 111466927
1-(4-methylphenyl)-2-(propylamino)propan-1-ol
CID 82312296
4-[2-(benzylamino)-1-hydroxypropyl]phenol
CID 78021980
4-[(1R)-2-(benzylamino)-1-hydroxypropyl]phenol
CID 71176331
4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol
CID 82312289
1-(4-fluorophenyl)-2-(1H-imidazol-2-ylmethylamino)propan-1-ol
CID 111422085
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol (CID 82313108) is 1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol is Cc1ccc(CNC(C)C(O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol?
The InChIKey is RNGAUNBFQDMSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12-3-5-14(6-4-12)11-19-13(2)17(20)15-7-9-16(18)10-8-15/h3-10,13,17,19-20H,11H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol?
1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol has a molecular weight of 273.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 82313108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).