N-methyl-1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

C16H24F3NO — CID 103207182

IUPACN-methyl-1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNC(CCOCC(F)(F)F)c1ccc(CC(C)C)cc1
InChIInChI=1S/C16H24F3NO/c1-12(2)10-13-4-6-14(7-5-13)15(20-3)8-9-21-11-16(17,18)19/h4-7,12,15,20H,8-11H2,1-3H3
InChIKeyAWMAEYPNIFSHSE-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.11
Rot. Bonds8

About N-methyl-1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-methyl-1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103207182) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103207182
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC NameN-methyl-1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNC(CCOCC(F)(F)F)c1ccc(CC(C)C)cc1
InChIInChI=1S/C16H24F3NO/c1-12(2)10-13-4-6-14(7-5-13)15(20-3)8-9-21-11-16(17,18)19/h4-7,12,15,20H,8-11H2,1-3H3
InChIKeyAWMAEYPNIFSHSE-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.11
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

1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207070
3,3,3-trifluoro-N-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43480587
N-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 61491100
N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 43480559
[3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 103151641
1-(2,6-dimethoxyphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148227
N-methyl-1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-2-amine
CID 115494781
2-[(4-fluorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62515043
N-methyl-1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-amine
CID 115494634
2-(4-bromophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43480571
2-[(4-bromophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62515575
1-[5-(methoxymethyl)furan-2-yl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207957

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-methyl-1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103207182) is N-methyl-1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-methyl-1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-methyl-1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is CNC(CCOCC(F)(F)F)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-methyl-1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is AWMAEYPNIFSHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-12(2)10-13-4-6-14(7-5-13)15(20-3)8-9-21-11-16(17,18)19/h4-7,12,15,20H,8-11H2,1-3H3.
What are the key properties of N-methyl-1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-methyl-1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103207182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).