N-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine

C16H18F3NO — CID 106888266

IUPACN-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
SMILESCc1cc(C(F)(F)F)ccc1-c1ccc(CNC(C)C)o1
InChIInChI=1S/C16H18F3NO/c1-10(2)20-9-13-5-7-15(21-13)14-6-4-12(8-11(14)3)16(17,18)19/h4-8,10,20H,9H2,1-3H3
InChIKeyROZDWRIGOYYAIV-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.77
Rot. Bonds4

About N-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine

N-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 106888266) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
PubChem CID106888266
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC NameN-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
SMILESCc1cc(C(F)(F)F)ccc1-c1ccc(CNC(C)C)o1
InChIInChI=1S/C16H18F3NO/c1-10(2)20-9-13-5-7-15(21-13)14-6-4-12(8-11(14)3)16(17,18)19/h4-8,10,20H,9H2,1-3H3
InChIKeyROZDWRIGOYYAIV-UHFFFAOYSA-N
XLogP4.77
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride
CID 17156683
N-[[5-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106889009
N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]methanamine
CID 66476989
N-[[5-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106888976
N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 102754125
N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]propan-2-amine
CID 106888255
N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 107289724
N-[[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]methyl]propan-2-amine
CID 107577096
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 17056405
(1R)-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 29187702
N-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106888703
1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-methylbutan-2-ol
CID 119134619

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine (CID 106888266) is N-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine is Cc1cc(C(F)(F)F)ccc1-c1ccc(CNC(C)C)o1.
What is the InChIKey of N-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is ROZDWRIGOYYAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO/c1-10(2)20-9-13-5-7-15(21-13)14-6-4-12(8-11(14)3)16(17,18)19/h4-8,10,20H,9H2,1-3H3.
What are the key properties of N-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine?
N-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 297.32 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106888266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).