(2R)-1-(5-fluoro-2,4-dimethoxyphenyl)-N,N-dimethylpropan-2-amine

C13H20FNO2 — CID 69390230

IUPAC(2R)-1-(5-fluoro-2,4-dimethoxyphenyl)-N,N-dimethylpropan-2-amine
SMILESCOc1cc(OC)c(C[C@@H](C)N(C)C)cc1F
InChIInChI=1S/C13H20FNO2/c1-9(15(2)3)6-10-7-11(14)13(17-5)8-12(10)16-4/h7-9H,6H2,1-5H3/t9-/m1/s1
InChIKeyDPAYFFMKFDVNBX-SECBINFHSA-N
MW241.31 g/mol
LogP2.34
Rot. Bonds5

About (2R)-1-(5-fluoro-2,4-dimethoxyphenyl)-N,N-dimethylpropan-2-amine

(2R)-1-(5-fluoro-2,4-dimethoxyphenyl)-N,N-dimethylpropan-2-amine (PubChem CID 69390230) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is (2R)-1-(5-fluoro-2,4-dimethoxyphenyl)-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-(5-fluoro-2,4-dimethoxyphenyl)-N,N-dimethylpropan-2-amine
PubChem CID69390230
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name(2R)-1-(5-fluoro-2,4-dimethoxyphenyl)-N,N-dimethylpropan-2-amine
SMILESCOc1cc(OC)c(C[C@@H](C)N(C)C)cc1F
InChIInChI=1S/C13H20FNO2/c1-9(15(2)3)6-10-7-11(14)13(17-5)8-12(10)16-4/h7-9H,6H2,1-5H3/t9-/m1/s1
InChIKeyDPAYFFMKFDVNBX-SECBINFHSA-N
XLogP2.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine
CID 170890367
1-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-2-ol
CID 117303123
O-[2-(5-fluoro-2,4-dimethoxyphenyl)ethyl]hydroxylamine
CID 117306476
1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol
CID 117290712
1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene
CID 164894496
N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine
CID 84775248
5-fluoro-2-(2-hydroxypropyl)-4-methoxyphenol
CID 117289277
N-(bromomethyl)-1-(2,5-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 115262117
N-[(5-fluoro-2,4-dimethoxyphenyl)methyl]formamide
CID 171538109
[(2,5-difluoro-4-methoxyphenyl)methyl-methylamino]methanethiol
CID 115228148
2-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methylbutan-1-amine
CID 116931874
(2,5-difluoro-4-methoxyphenyl)methyl-methylcyanamide
CID 117043406

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-fluoro-2,4-dimethoxyphenyl)-N,N-dimethylpropan-2-amine?
The IUPAC name of (2R)-1-(5-fluoro-2,4-dimethoxyphenyl)-N,N-dimethylpropan-2-amine (CID 69390230) is (2R)-1-(5-fluoro-2,4-dimethoxyphenyl)-N,N-dimethylpropan-2-amine.
What is the SMILES notation for (2R)-1-(5-fluoro-2,4-dimethoxyphenyl)-N,N-dimethylpropan-2-amine?
The canonical SMILES for (2R)-1-(5-fluoro-2,4-dimethoxyphenyl)-N,N-dimethylpropan-2-amine is COc1cc(OC)c(C[C@@H](C)N(C)C)cc1F.
What is the InChIKey of (2R)-1-(5-fluoro-2,4-dimethoxyphenyl)-N,N-dimethylpropan-2-amine?
The InChIKey is DPAYFFMKFDVNBX-SECBINFHSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-9(15(2)3)6-10-7-11(14)13(17-5)8-12(10)16-4/h7-9H,6H2,1-5H3/t9-/m1/s1.
What are the key properties of (2R)-1-(5-fluoro-2,4-dimethoxyphenyl)-N,N-dimethylpropan-2-amine?
(2R)-1-(5-fluoro-2,4-dimethoxyphenyl)-N,N-dimethylpropan-2-amine has a molecular weight of 241.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-fluoro-2,4-dimethoxyphenyl)-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 69390230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).