N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-N-methylpropan-2-amine

C12H17ClFN — CID 59146358

IUPACN-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)[C@H](C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H17ClFN/c1-8(2)15(4)9(3)10-5-6-12(14)11(13)7-10/h5-9H,1-4H3/t9-/m1/s1
InChIKeyOUYDLYXDJGNPGA-SECBINFHSA-N
MW229.73 g/mol
LogP3.88
Rot. Bonds3

About N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-N-methylpropan-2-amine

N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-N-methylpropan-2-amine (PubChem CID 59146358) has the molecular formula C12H17ClFN and a molecular weight of 229.73 g/mol. Its IUPAC name is N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-N-methylpropan-2-amine
PubChem CID59146358
Molecular FormulaC12H17ClFN
Molecular Weight229.73 g/mol
Exact Mass229.10
IUPAC NameN-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)[C@H](C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H17ClFN/c1-8(2)15(4)9(3)10-5-6-12(14)11(13)7-10/h5-9H,1-4H3/t9-/m1/s1
InChIKeyOUYDLYXDJGNPGA-SECBINFHSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-N-methylpropan-2-amine?
The IUPAC name of N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-N-methylpropan-2-amine (CID 59146358) is N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-N-methylpropan-2-amine is CC(C)N(C)[C@H](C)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-N-methylpropan-2-amine?
The InChIKey is OUYDLYXDJGNPGA-SECBINFHSA-N. The full InChI is InChI=1S/C12H17ClFN/c1-8(2)15(4)9(3)10-5-6-12(14)11(13)7-10/h5-9H,1-4H3/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-N-methylpropan-2-amine?
N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-N-methylpropan-2-amine has a molecular weight of 229.73 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-N-methylpropan-2-amine is sourced from PubChem (CID 59146358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).