N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine

C13H18F3N — CID 58563398

IUPACN,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine
SMILESCc1cc(CCCN(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3N/c1-10-7-11(5-4-6-17(2)3)9-12(8-10)13(14,15)16/h7-9H,4-6H2,1-3H3
InChIKeyGBJWZVBTZCZOFB-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.51
Rot. Bonds4

About N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine

N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 58563398) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID58563398
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC NameN,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine
SMILESCc1cc(CCCN(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3N/c1-10-7-11(5-4-6-17(2)3)9-12(8-10)13(14,15)16/h7-9H,4-6H2,1-3H3
InChIKeyGBJWZVBTZCZOFB-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine (CID 58563398) is N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine is Cc1cc(CCCN(C)C)cc(C(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is GBJWZVBTZCZOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-10-7-11(5-4-6-17(2)3)9-12(8-10)13(14,15)16/h7-9H,4-6H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine?
N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 245.29 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 58563398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).