N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine

C13H18F3NO — CID 64567410

IUPACN-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)c1ccc(OC)cc1
InChIInChI=1S/C13H18F3NO/c1-3-17-12(8-9-13(14,15)16)10-4-6-11(18-2)7-5-10/h4-7,12,17H,3,8-9H2,1-2H3
InChIKeyWPVIGSIUWAZDKV-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.69
Rot. Bonds6

About N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine

N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine (PubChem CID 64567410) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine
PubChem CID64567410
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)c1ccc(OC)cc1
InChIInChI=1S/C13H18F3NO/c1-3-17-12(8-9-13(14,15)16)10-4-6-11(18-2)7-5-10/h4-7,12,17H,3,8-9H2,1-2H3
InChIKeyWPVIGSIUWAZDKV-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine
CID 81342777
N-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine
CID 104804297
1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63414142
N-ethyl-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 64567616
1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 113326940
1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
CID 43488978
methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65235012
N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774226
[3,3,3-trifluoro-1-(4-methoxyphenyl)propyl]hydrazine
CID 105206009
N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 114980102
[1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105248935
4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 64565776

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine (CID 64567410) is N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine is CCNC(CCC(F)(F)F)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine?
The InChIKey is WPVIGSIUWAZDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-3-17-12(8-9-13(14,15)16)10-4-6-11(18-2)7-5-10/h4-7,12,17H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine?
N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 64567410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).