1-(2,2,3,3-tetramethylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine

C16H22F3NO — CID 115843444

IUPAC1-(2,2,3,3-tetramethylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCC1(C)C(C(N)Cc2ccc(OC(F)(F)F)cc2)C1(C)C
InChIInChI=1S/C16H22F3NO/c1-14(2)13(15(14,3)4)12(20)9-10-5-7-11(8-6-10)21-16(17,18)19/h5-8,12-13H,9,20H2,1-4H3
InChIKeyWBBSDUZDJWBWES-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.14
Rot. Bonds4

About 1-(2,2,3,3-tetramethylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine

1-(2,2,3,3-tetramethylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 115843444) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(2,2,3,3-tetramethylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-(2,2,3,3-tetramethylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
PubChem CID115843444
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name1-(2,2,3,3-tetramethylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCC1(C)C(C(N)Cc2ccc(OC(F)(F)F)cc2)C1(C)C
InChIInChI=1S/C16H22F3NO/c1-14(2)13(15(14,3)4)12(20)9-10-5-7-11(8-6-10)21-16(17,18)19/h5-8,12-13H,9,20H2,1-4H3
InChIKeyWBBSDUZDJWBWES-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 64573058
1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 62608696
4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 64718513
1,1-dimethoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 79492941
1-(thiolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 105136631
1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 105136604
1-(1,4-dithian-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 79973094
1-(1-ethylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843446
1-tert-butylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 65132270
1-(3-bromo-2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 66048084
[1-(1-methylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105296915
chloro (2S)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 142758189

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetramethylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 1-(2,2,3,3-tetramethylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine (CID 115843444) is 1-(2,2,3,3-tetramethylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-(2,2,3,3-tetramethylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 1-(2,2,3,3-tetramethylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine is CC1(C)C(C(N)Cc2ccc(OC(F)(F)F)cc2)C1(C)C.
What is the InChIKey of 1-(2,2,3,3-tetramethylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is WBBSDUZDJWBWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-14(2)13(15(14,3)4)12(20)9-10-5-7-11(8-6-10)21-16(17,18)19/h5-8,12-13H,9,20H2,1-4H3.
What are the key properties of 1-(2,2,3,3-tetramethylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine?
1-(2,2,3,3-tetramethylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 301.35 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetramethylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 115843444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).