(1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol

C17H20FNO — CID 103959822

IUPAC(1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N(C)Cc1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c1-3-17(20)15-6-4-5-7-16(15)19(2)12-13-8-10-14(18)11-9-13/h4-11,17,20H,3,12H2,1-2H3/t17-/m1/s1
InChIKeyAOOKFJAKWYBNCJ-QGZVFWFLSA-N
MW273.35 g/mol
LogP3.91
Rot. Bonds5

About (1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol

(1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol (PubChem CID 103959822) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol
PubChem CID103959822
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N(C)Cc1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c1-3-17(20)15-6-4-5-7-16(15)19(2)12-13-8-10-14(18)11-9-13/h4-11,17,20H,3,12H2,1-2H3/t17-/m1/s1
InChIKeyAOOKFJAKWYBNCJ-QGZVFWFLSA-N
XLogP3.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol
CID 103959768
(1S)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol
CID 103959815
(1R)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol
CID 103959816
(1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 78939980
(1R)-1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]propan-1-ol
CID 103959914
(1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol
CID 103959837
(1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol
CID 113359035
2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 103958489
1-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]propan-1-ol
CID 115996041
(1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol
CID 103960340
(1R)-1-[2-[2-methoxyethyl(methyl)amino]phenyl]propan-1-ol
CID 103959855
1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678841

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol (CID 103959822) is (1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1N(C)Cc1ccc(F)cc1.
What is the InChIKey of (1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol?
The InChIKey is AOOKFJAKWYBNCJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-17(20)15-6-4-5-7-16(15)19(2)12-13-8-10-14(18)11-9-13/h4-11,17,20H,3,12H2,1-2H3/t17-/m1/s1.
What are the key properties of (1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol?
(1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol has a molecular weight of 273.35 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol is sourced from PubChem (CID 103959822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).