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

C14H20F3NO — CID 86829390

IUPACN-methyl-N-[(2-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCc1ccccc1CN(C)CCCOCC(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-12-6-3-4-7-13(12)10-18(2)8-5-9-19-11-14(15,16)17/h3-4,6-7H,5,8-11H2,1-2H3
InChIKeyOHBXKMVUQDDLRZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.40
Rot. Bonds7

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

N-methyl-N-[(2-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 86829390) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N-methyl-N-[(2-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID86829390
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN-methyl-N-[(2-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCc1ccccc1CN(C)CCCOCC(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-12-6-3-4-7-13(12)10-18(2)8-5-9-19-11-14(15,16)17/h3-4,6-7H,5,8-11H2,1-2H3
InChIKeyOHBXKMVUQDDLRZ-UHFFFAOYSA-N
XLogP3.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491298
1-(2-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 113229487
1-(chloromethyl)-3-methyl-2-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 112613319
N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 61411427
1-(2-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-ol
CID 55095136
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 86830542
2,2-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]hexanenitrile
CID 106709869
N-(3-methoxypropyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62557176
2-methyl-1-[(2-methylphenyl)methyl]-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111360617
4-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanoic acid
CID 55006281
1-[2-(chloromethyl)-4-(2,2,2-trifluoroethoxy)butyl]-2-methylbenzene
CID 66048153
1-[1-bromo-2-(bromomethyl)-5-(2,2,2-trifluoroethoxy)pentan-2-yl]-2-methylbenzene
CID 79446247

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 86829390) is N-methyl-N-[(2-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-methyl-N-[(2-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-methyl-N-[(2-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is Cc1ccccc1CN(C)CCCOCC(F)(F)F.
What is the InChIKey of N-methyl-N-[(2-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is OHBXKMVUQDDLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-12-6-3-4-7-13(12)10-18(2)8-5-9-19-11-14(15,16)17/h3-4,6-7H,5,8-11H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-methyl-N-[(2-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 86829390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).