2-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol

C13H19ClFNO — CID 115133504

IUPAC2-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
SMILESCc1cc(Cl)c(CN(C)C(C)(C)CO)cc1F
InChIInChI=1S/C13H19ClFNO/c1-9-5-11(14)10(6-12(9)15)7-16(4)13(2,3)8-17/h5-6,17H,7-8H2,1-4H3
InChIKeyPQLYOYURBBIDHL-UHFFFAOYSA-N
MW259.75 g/mol
LogP2.99
Rot. Bonds4

About 2-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol

2-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol (PubChem CID 115133504) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
PubChem CID115133504
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name2-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
SMILESCc1cc(Cl)c(CN(C)C(C)(C)CO)cc1F
InChIInChI=1S/C13H19ClFNO/c1-9-5-11(14)10(6-12(9)15)7-16(4)13(2,3)8-17/h5-6,17H,7-8H2,1-4H3
InChIKeyPQLYOYURBBIDHL-UHFFFAOYSA-N
XLogP2.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]-N-methylhydroxylamine
CID 84777598
N-(bromomethyl)-1-(2-chloro-5-fluoro-4-methylphenyl)-N-methylmethanamine
CID 115262157
N'-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 117045150
3-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]-2,2-dimethylpropanenitrile
CID 115234184
2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133466
3-amino-1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-1-methylurea
CID 115192854
1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene
CID 131118728
4-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]butanoic acid
CID 117045167
2-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]propanenitrile
CID 115130338
3-(2-chloro-5-fluoro-N,4-dimethylanilino)-2,2-dimethylpropan-1-ol
CID 115135295
[(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol
CID 115229083
2-[(4-bromo-2-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882426

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol (CID 115133504) is 2-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol is Cc1cc(Cl)c(CN(C)C(C)(C)CO)cc1F.
What is the InChIKey of 2-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol?
The InChIKey is PQLYOYURBBIDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO/c1-9-5-11(14)10(6-12(9)15)7-16(4)13(2,3)8-17/h5-6,17H,7-8H2,1-4H3.
What are the key properties of 2-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol?
2-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol has a molecular weight of 259.75 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 115133504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).