N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]propan-2-amine

C13H18F3N — CID 3039858

IUPACN-propan-2-yl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(C)NC(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3N/c1-9(2)17-10(3)7-11-5-4-6-12(8-11)13(14,15)16/h4-6,8-10,17H,7H2,1-3H3
InChIKeyNFNFGNLAOQRPPO-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.63
Rot. Bonds4

About N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]propan-2-amine

N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 3039858) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID3039858
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC NameN-propan-2-yl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(C)NC(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3N/c1-9(2)17-10(3)7-11-5-4-6-12(8-11)13(14,15)16/h4-6,8-10,17H,7H2,1-3H3
InChIKeyNFNFGNLAOQRPPO-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 3039858) is N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]propan-2-amine is CC(C)NC(C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is NFNFGNLAOQRPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-9(2)17-10(3)7-11-5-4-6-12(8-11)13(14,15)16/h4-6,8-10,17H,7H2,1-3H3.
What are the key properties of N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 245.29 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 3039858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).