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

C14H20F3NO — CID 106705903

IUPACN-methyl-2-[(4-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNCC(COCC(F)(F)F)Cc1ccc(C)cc1
InChIInChI=1S/C14H20F3NO/c1-11-3-5-12(6-4-11)7-13(8-18-2)9-19-10-14(15,16)17/h3-6,13,18H,7-10H2,1-2H3
InChIKeyRIMOPSVDKCPGCC-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.95
Rot. Bonds7

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

N-methyl-2-[(4-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 106705903) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N-methyl-2-[(4-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(4-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID106705903
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN-methyl-2-[(4-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNCC(COCC(F)(F)F)Cc1ccc(C)cc1
InChIInChI=1S/C14H20F3NO/c1-11-3-5-12(6-4-11)7-13(8-18-2)9-19-10-14(15,16)17/h3-6,13,18H,7-10H2,1-2H3
InChIKeyRIMOPSVDKCPGCC-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106705871
2-[(4-fluorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62515043
N-ethyl-1-(4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214563
2-[(4-bromophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62515575
2-benzyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106705873
4-methoxy-N-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 113382938
2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine
CID 102940419
2-[(3-fluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 62515206
2-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105374875
1-(3,4-dimethylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214766
N-methyl-2,3-bis(4-methylphenyl)propan-1-amine
CID 79437244
1-(4-ethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216652

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-methyl-2-[(4-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 106705903) is N-methyl-2-[(4-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-methyl-2-[(4-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-methyl-2-[(4-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is CNCC(COCC(F)(F)F)Cc1ccc(C)cc1.
What is the InChIKey of N-methyl-2-[(4-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is RIMOPSVDKCPGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-11-3-5-12(6-4-11)7-13(8-18-2)9-19-10-14(15,16)17/h3-6,13,18H,7-10H2,1-2H3.
What are the key properties of N-methyl-2-[(4-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-methyl-2-[(4-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 106705903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).