N-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-amine

C14H20F3NO — CID 82956623

IUPACN-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-amine
SMILESCNC(c1ccc(C)cc1)C(C)OCCC(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-10-4-6-12(7-5-10)13(18-3)11(2)19-9-8-14(15,16)17/h4-7,11,13,18H,8-9H2,1-3H3
InChIKeySSUSUNJSSCTZKG-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.61
Rot. Bonds6

About N-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-amine

N-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-amine (PubChem CID 82956623) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-amine
PubChem CID82956623
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-amine
SMILESCNC(c1ccc(C)cc1)C(C)OCCC(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-10-4-6-12(7-5-10)13(18-3)11(2)19-9-8-14(15,16)17/h4-7,11,13,18H,8-9H2,1-3H3
InChIKeySSUSUNJSSCTZKG-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 66234272
N-[2-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine
CID 82958751
1-N,2-N-dimethyl-1-(4-methylphenyl)-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81056677
N-[2-(4-methylphenyl)-2-(4,4,4-trifluorobutoxy)ethyl]propan-2-amine
CID 82783070
1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one
CID 82954338
N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-amine
CID 112587403
1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine
CID 66275433
2-(3,3-dimethylbutoxy)-1-(4-methylphenyl)propan-1-ol
CID 66224938
1-(methylamino)-1-(4-methylphenyl)propan-2-ol
CID 116859377
1-(4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82710680
N-methyl-2-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275302
2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-(4-methylphenyl)propane-1,2-diamine
CID 81058933

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-amine?
The IUPAC name of N-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-amine (CID 82956623) is N-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-amine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-amine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-amine is CNC(c1ccc(C)cc1)C(C)OCCC(F)(F)F.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-amine?
The InChIKey is SSUSUNJSSCTZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-10-4-6-12(7-5-10)13(18-3)11(2)19-9-8-14(15,16)17/h4-7,11,13,18H,8-9H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-amine?
N-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-amine is sourced from PubChem (CID 82956623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).