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

C18H22FNO — CID 43735061

IUPAC2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenol
SMILESCC(C)(C)C(NCc1ccccc1O)c1ccc(F)cc1
InChIInChI=1S/C18H22FNO/c1-18(2,3)17(13-8-10-15(19)11-9-13)20-12-14-6-4-5-7-16(14)21/h4-11,17,20-21H,12H2,1-3H3
InChIKeySAQJONHWNOIQOJ-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.41
Rot. Bonds4

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

2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenol (PubChem CID 43735061) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenol
PubChem CID43735061
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenol
SMILESCC(C)(C)C(NCc1ccccc1O)c1ccc(F)cc1
InChIInChI=1S/C18H22FNO/c1-18(2,3)17(13-8-10-15(19)11-9-13)20-12-14-6-4-5-7-16(14)21/h4-11,17,20-21H,12H2,1-3H3
InChIKeySAQJONHWNOIQOJ-UHFFFAOYSA-N
XLogP4.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 43433338
2-[[(2,2-dimethyl-1-phenylpropyl)amino]methyl]-6-fluorophenol
CID 115951224
[4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol
CID 110009379
1-(4-fluorophenyl)-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
CID 62329574
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 63446121
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-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78916745
1-(4-fluorophenyl)-2,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 119127152
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
4-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]benzene-1,3-diol
CID 43685473

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenol?
The IUPAC name of 2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenol (CID 43735061) is 2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenol.
What is the SMILES notation for 2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenol?
The canonical SMILES for 2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenol is CC(C)(C)C(NCc1ccccc1O)c1ccc(F)cc1.
What is the InChIKey of 2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenol?
The InChIKey is SAQJONHWNOIQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-18(2,3)17(13-8-10-15(19)11-9-13)20-12-14-6-4-5-7-16(14)21/h4-11,17,20-21H,12H2,1-3H3.
What are the key properties of 2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenol?
2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenol has a molecular weight of 287.38 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenol is sourced from PubChem (CID 43735061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).