2-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine

C10H13ClFN — CID 117290502

IUPAC2-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
SMILESCc1c(F)cc(C(C)(C)N)cc1Cl
InChIInChI=1S/C10H13ClFN/c1-6-8(11)4-7(5-9(6)12)10(2,3)13/h4-5H,13H2,1-3H3
InChIKeyGICZTBYKTXWGCN-UHFFFAOYSA-N
MW201.67 g/mol
LogP2.98
Rot. Bonds1

About 2-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine

2-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine (PubChem CID 117290502) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 2-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
PubChem CID117290502
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name2-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
SMILESCc1c(F)cc(C(C)(C)N)cc1Cl
InChIInChI=1S/C10H13ClFN/c1-6-8(11)4-7(5-9(6)12)10(2,3)13/h4-5H,13H2,1-3H3
InChIKeyGICZTBYKTXWGCN-UHFFFAOYSA-N
XLogP2.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine?
The IUPAC name of 2-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine (CID 117290502) is 2-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine.
What is the SMILES notation for 2-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine?
The canonical SMILES for 2-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine is Cc1c(F)cc(C(C)(C)N)cc1Cl.
What is the InChIKey of 2-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine?
The InChIKey is GICZTBYKTXWGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-6-8(11)4-7(5-9(6)12)10(2,3)13/h4-5H,13H2,1-3H3.
What are the key properties of 2-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine?
2-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine has a molecular weight of 201.67 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine is sourced from PubChem (CID 117290502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).