N-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine

C14H20F3NO — CID 105013128

IUPACN-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine
SMILESCNC(COC(C)C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-10(2)19-9-13(18-3)8-11-4-6-12(7-5-11)14(15,16)17/h4-7,10,13,18H,8-9H2,1-3H3
InChIKeyDYMKNVAMEGLXPC-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.26
Rot. Bonds6

About N-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine

N-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 105013128) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID105013128
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine
SMILESCNC(COC(C)C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-10(2)19-9-13(18-3)8-11-4-6-12(7-5-11)14(15,16)17/h4-7,10,13,18H,8-9H2,1-3H3
InChIKeyDYMKNVAMEGLXPC-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-propan-2-yloxy-N-propyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 105013266
1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
CID 105101340
N-methyl-1-propan-2-yloxy-3-pyridin-4-ylpropan-2-amine
CID 79573917
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79953449
4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 105028112
N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 55040773
1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 115863531
1-(3-bromo-4-fluorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
CID 105111283
N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine
CID 114752994
N-methyl-4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 115848283
4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 63528992
1-(furan-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 105029270

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of N-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine (CID 105013128) is N-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for N-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for N-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine is CNC(COC(C)C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is DYMKNVAMEGLXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-10(2)19-9-13(18-3)8-11-4-6-12(7-5-11)14(15,16)17/h4-7,10,13,18H,8-9H2,1-3H3.
What are the key properties of N-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
N-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 275.31 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 105013128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).