2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]-6-fluorophenol

C16H17ClFNO — CID 115951107

IUPAC2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]-6-fluorophenol
SMILESCC(Cc1ccccc1Cl)NCc1cccc(F)c1O
InChIInChI=1S/C16H17ClFNO/c1-11(9-12-5-2-3-7-14(12)17)19-10-13-6-4-8-15(18)16(13)20/h2-8,11,19-20H,9-10H2,1H3
InChIKeyPJMPUYBKVIFJOV-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.91
Rot. Bonds5

About 2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]-6-fluorophenol

2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]-6-fluorophenol (PubChem CID 115951107) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]-6-fluorophenol.

Molecular Properties

Compound Name2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]-6-fluorophenol
PubChem CID115951107
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]-6-fluorophenol
SMILESCC(Cc1ccccc1Cl)NCc1cccc(F)c1O
InChIInChI=1S/C16H17ClFNO/c1-11(9-12-5-2-3-7-14(12)17)19-10-13-6-4-8-15(18)16(13)20/h2-8,11,19-20H,9-10H2,1H3
InChIKeyPJMPUYBKVIFJOV-UHFFFAOYSA-N
XLogP3.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.91
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

2-fluoro-6-[(4-phenylbutan-2-ylamino)methyl]phenol
CID 115951015
2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol
CID 103940685
2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol
CID 112606368
4-bromo-2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 107737675
N-[(3-chlorophenyl)methyl]-1-(2-fluorophenyl)propan-2-amine
CID 115592336
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine
CID 43677385
1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine
CID 63428003
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 43178075
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
CID 60780252
2-[(3-fluoro-2-hydroxyphenyl)methylamino]-3-methylbutanoic acid
CID 112606709
2-[[(2,2-dimethyl-1-phenylpropyl)amino]methyl]-6-fluorophenol
CID 115951224

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]-6-fluorophenol?
The IUPAC name of 2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]-6-fluorophenol (CID 115951107) is 2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]-6-fluorophenol.
What is the SMILES notation for 2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]-6-fluorophenol?
The canonical SMILES for 2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]-6-fluorophenol is CC(Cc1ccccc1Cl)NCc1cccc(F)c1O.
What is the InChIKey of 2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]-6-fluorophenol?
The InChIKey is PJMPUYBKVIFJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-11(9-12-5-2-3-7-14(12)17)19-10-13-6-4-8-15(18)16(13)20/h2-8,11,19-20H,9-10H2,1H3.
What are the key properties of 2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]-6-fluorophenol?
2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]-6-fluorophenol has a molecular weight of 293.77 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]-6-fluorophenol is sourced from PubChem (CID 115951107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).