N-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenoxy]propan-1-amine

C14H20F3NO2 — CID 62570990

IUPACN-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCOCCCNCC(C)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3NO2/c1-11(10-18-8-5-9-19-2)20-13-7-4-3-6-12(13)14(15,16)17/h3-4,6-7,11,18H,5,8-10H2,1-2H3
InChIKeyJTNXCHAUCJFDCS-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.10
Rot. Bonds8

About N-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenoxy]propan-1-amine

N-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenoxy]propan-1-amine (PubChem CID 62570990) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenoxy]propan-1-amine
PubChem CID62570990
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC NameN-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCOCCCNCC(C)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3NO2/c1-11(10-18-8-5-9-19-2)20-13-7-4-3-6-12(13)14(15,16)17/h3-4,6-7,11,18H,5,8-10H2,1-2H3
InChIKeyJTNXCHAUCJFDCS-UHFFFAOYSA-N
XLogP3.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451276
2-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 62571165
methyl 3-[2-(trifluoromethyl)phenoxy]butanoate
CID 43536036
2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 104708487
2-(4-chloro-2-methylphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 62571399
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
N-[2-(2-methoxyphenoxy)propyl]pentan-1-amine
CID 62572608
1-nonan-2-yloxy-2-(trifluoromethyl)benzene
CID 130445178
1-(trifluoromethyl)-2-undecan-2-yloxybenzene
CID 150002093
2-(2-ethoxyphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62572264
N-(3-methoxypropyl)-2-pyridin-3-yloxypropan-1-amine
CID 62583823
N-(3-ethoxypropyl)-2-(2-ethylphenoxy)propan-1-amine
CID 62598795

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenoxy]propan-1-amine?
The IUPAC name of N-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenoxy]propan-1-amine (CID 62570990) is N-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenoxy]propan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenoxy]propan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenoxy]propan-1-amine is COCCCNCC(C)Oc1ccccc1C(F)(F)F.
What is the InChIKey of N-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenoxy]propan-1-amine?
The InChIKey is JTNXCHAUCJFDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-11(10-18-8-5-9-19-2)20-13-7-4-3-6-12(13)14(15,16)17/h3-4,6-7,11,18H,5,8-10H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenoxy]propan-1-amine?
N-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenoxy]propan-1-amine has a molecular weight of 291.31 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 62570990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).