1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine

C14H20F3NO — CID 62605208

IUPAC1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCCCNC(COC)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO/c1-3-7-18-13(10-19-2)9-11-5-4-6-12(8-11)14(15,16)17/h4-6,8,13,18H,3,7,9-10H2,1-2H3
InChIKeyAAHWTCSLCCBKQN-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.26
Rot. Bonds7

About 1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine

1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 62605208) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID62605208
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCCCNC(COC)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO/c1-3-7-18-13(10-19-2)9-11-5-4-6-12(8-11)14(15,16)17/h4-6,8,13,18H,3,7,9-10H2,1-2H3
InChIKeyAAHWTCSLCCBKQN-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62603541
1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 63412549
4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 63890032
[1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105207214
1-N,1-N-dimethyl-2-N-propyl-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 79093607
3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 115831156
[1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 114033159
1-(3-bromophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214582
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
N-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 62698331
N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 60996965
1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214527

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 62605208) is 1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine is CCCNC(COC)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is AAHWTCSLCCBKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-3-7-18-13(10-19-2)9-11-5-4-6-12(8-11)14(15,16)17/h4-6,8,13,18H,3,7,9-10H2,1-2H3.
What are the key properties of 1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 275.31 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 62605208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).