[4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol

C19H24FNO — CID 110009379

IUPAC[4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol
SMILESCC(C)(C)C(NCc1ccc(CO)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H24FNO/c1-19(2,3)18(16-8-10-17(20)11-9-16)21-12-14-4-6-15(13-22)7-5-14/h4-11,18,21-22H,12-13H2,1-3H3
InChIKeyZQRZATPMPMODSP-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.20
Rot. Bonds5

About [4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol

[4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol (PubChem CID 110009379) has the molecular formula C19H24FNO and a molecular weight of 301.41 g/mol. Its IUPAC name is [4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol
PubChem CID110009379
Molecular FormulaC19H24FNO
Molecular Weight301.41 g/mol
Exact Mass301.18
IUPAC Name[4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol
SMILESCC(C)(C)C(NCc1ccc(CO)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H24FNO/c1-19(2,3)18(16-8-10-17(20)11-9-16)21-12-14-4-6-15(13-22)7-5-14/h4-11,18,21-22H,12-13H2,1-3H3
InChIKeyZQRZATPMPMODSP-UHFFFAOYSA-N
XLogP4.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 43433338
2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenol
CID 43735061
3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949872
1-(4-fluorophenyl)-2,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 119127152
[4-[[1-(3,5-difluorophenyl)ethylamino]methyl]phenyl]methanol
CID 107230241
1-(4-fluorophenyl)-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
CID 62329574
2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide
CID 94197027
1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 115652954
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 63446121
3-[(4-fluorophenyl)methylamino]-4-methylpentan-1-ol
CID 111469148
1-(4-fluorophenyl)-2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 115633725
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]octan-1-amine
CID 43735025

Frequently Asked Questions

What is the IUPAC name of [4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol (CID 110009379) is [4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol is CC(C)(C)C(NCc1ccc(CO)cc1)c1ccc(F)cc1.
What is the InChIKey of [4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol?
The InChIKey is ZQRZATPMPMODSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO/c1-19(2,3)18(16-8-10-17(20)11-9-16)21-12-14-4-6-15(13-22)7-5-14/h4-11,18,21-22H,12-13H2,1-3H3.
What are the key properties of [4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol?
[4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol has a molecular weight of 301.41 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 110009379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).