2-methyl-N-[3-[2-(trifluoromethoxy)phenyl]propyl]propan-1-amine

C14H20F3NO — CID 64504928

IUPAC2-methyl-N-[3-[2-(trifluoromethoxy)phenyl]propyl]propan-1-amine
SMILESCC(C)CNCCCc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-11(2)10-18-9-5-7-12-6-3-4-8-13(12)19-14(15,16)17/h3-4,6,8,11,18H,5,7,9-10H2,1-2H3
InChIKeyRYRWJKCQQHKZNJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.76
Rot. Bonds7

About 2-methyl-N-[3-[2-(trifluoromethoxy)phenyl]propyl]propan-1-amine

2-methyl-N-[3-[2-(trifluoromethoxy)phenyl]propyl]propan-1-amine (PubChem CID 64504928) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-(trifluoromethoxy)phenyl]propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-[2-(trifluoromethoxy)phenyl]propyl]propan-1-amine
PubChem CID64504928
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2-methyl-N-[3-[2-(trifluoromethoxy)phenyl]propyl]propan-1-amine
SMILESCC(C)CNCCCc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-11(2)10-18-9-5-7-12-6-3-4-8-13(12)19-14(15,16)17/h3-4,6,8,11,18H,5,7,9-10H2,1-2H3
InChIKeyRYRWJKCQQHKZNJ-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 62531246
3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28726645
1-(2-chloroethyl)-2-(trifluoromethoxy)benzene
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2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
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CID 115566606
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
1-methyl-4-[3-[2-(trifluoromethoxy)phenyl]propyl]benzene
CID 67623279
3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 120502341
4-methylsulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 115639279
2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592606
1-(2-methylpropyl)-2-[[2-(trifluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111037941

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[2-(trifluoromethoxy)phenyl]propyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[3-[2-(trifluoromethoxy)phenyl]propyl]propan-1-amine (CID 64504928) is 2-methyl-N-[3-[2-(trifluoromethoxy)phenyl]propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-[2-(trifluoromethoxy)phenyl]propyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[3-[2-(trifluoromethoxy)phenyl]propyl]propan-1-amine is CC(C)CNCCCc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-methyl-N-[3-[2-(trifluoromethoxy)phenyl]propyl]propan-1-amine?
The InChIKey is RYRWJKCQQHKZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-11(2)10-18-9-5-7-12-6-3-4-8-13(12)19-14(15,16)17/h3-4,6,8,11,18H,5,7,9-10H2,1-2H3.
What are the key properties of 2-methyl-N-[3-[2-(trifluoromethoxy)phenyl]propyl]propan-1-amine?
2-methyl-N-[3-[2-(trifluoromethoxy)phenyl]propyl]propan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[2-(trifluoromethoxy)phenyl]propyl]propan-1-amine is sourced from PubChem (CID 64504928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).