N-[2-(3-methoxypropoxy)ethyl]-3-(trifluoromethyl)aniline

C13H18F3NO2 — CID 103178330

IUPACN-[2-(3-methoxypropoxy)ethyl]-3-(trifluoromethyl)aniline
SMILESCOCCCOCCNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO2/c1-18-7-3-8-19-9-6-17-12-5-2-4-11(10-12)13(14,15)16/h2,4-5,10,17H,3,6-9H2,1H3
InChIKeyYPWQDKVSNUUIKU-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.17
Rot. Bonds8

About N-[2-(3-methoxypropoxy)ethyl]-3-(trifluoromethyl)aniline

N-[2-(3-methoxypropoxy)ethyl]-3-(trifluoromethyl)aniline (PubChem CID 103178330) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)ethyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)ethyl]-3-(trifluoromethyl)aniline
PubChem CID103178330
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC NameN-[2-(3-methoxypropoxy)ethyl]-3-(trifluoromethyl)aniline
SMILESCOCCCOCCNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO2/c1-18-7-3-8-19-9-6-17-12-5-2-4-11(10-12)13(14,15)16/h2,4-5,10,17H,3,6-9H2,1H3
InChIKeyYPWQDKVSNUUIKU-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.17
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

3-bromo-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 62566662
3-chloro-N-[2-(3-methoxypropoxy)ethyl]-5-(trifluoromethyl)aniline
CID 103179547
1-N-[2-(3-methoxypropoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 103179316
N-[2-(2-methoxyphenoxy)ethyl]-3-(trifluoromethyl)aniline
CID 54803252
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833709
3,4-difluoro-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 103178421
N-(3-methoxy-2-methylpropyl)-3-(trifluoromethyl)aniline
CID 116500690
N-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 3114001
N-octyl-3-(trifluoromethyl)aniline
CID 43129188
N-heptyl-3-(trifluoromethyl)aniline
CID 4711840
methyl 3-[3-(trifluoromethyl)anilino]propanoate
CID 43365338
2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 110423362

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-3-(trifluoromethyl)aniline (CID 103178330) is N-[2-(3-methoxypropoxy)ethyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[2-(3-methoxypropoxy)ethyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[2-(3-methoxypropoxy)ethyl]-3-(trifluoromethyl)aniline is COCCCOCCNc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(3-methoxypropoxy)ethyl]-3-(trifluoromethyl)aniline?
The InChIKey is YPWQDKVSNUUIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-18-7-3-8-19-9-6-17-12-5-2-4-11(10-12)13(14,15)16/h2,4-5,10,17H,3,6-9H2,1H3.
What are the key properties of N-[2-(3-methoxypropoxy)ethyl]-3-(trifluoromethyl)aniline?
N-[2-(3-methoxypropoxy)ethyl]-3-(trifluoromethyl)aniline has a molecular weight of 277.29 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropoxy)ethyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 103178330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).