2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine

C11H14F3NO — CID 63896619

IUPAC2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-2-7-16-9-5-3-8(4-6-9)10(15)11(12,13)14/h3-6,10H,2,7,15H2,1H3
InChIKeyDDQYBZCSZBARIU-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.04
Rot. Bonds4

About 2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine

2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine (PubChem CID 63896619) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine
PubChem CID63896619
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-2-7-16-9-5-3-8(4-6-9)10(15)11(12,13)14/h3-6,10H,2,7,15H2,1H3
InChIKeyDDQYBZCSZBARIU-UHFFFAOYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-propoxyphenyl)propan-1-amine
CID 16783118
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 16784602
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
(1S)-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine
CID 79014746
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
(1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 66511880
(1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171250019
1-pentan-3-yl-4-(4-propoxyphenyl)benzene
CID 126760661
2,2,2-trifluoro-1-[4-[3-[4-(2,2,2-trifluoroethanimidoyl)phenoxy]propoxy]phenyl]ethanamine
CID 134525764
2-butoxy-1-(4-propoxyphenyl)ethanamine
CID 43267600
N'-methyl-N'-(3-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 61429545

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine (CID 63896619) is 2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(N)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine?
The InChIKey is DDQYBZCSZBARIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-2-7-16-9-5-3-8(4-6-9)10(15)11(12,13)14/h3-6,10H,2,7,15H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine?
2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine has a molecular weight of 233.23 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 63896619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).