2-(cyclopropylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol

C13H16F3NO2 — CID 61055835

IUPAC2-(cyclopropylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESOCC(NCC1CC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)19-11-5-3-10(4-6-11)12(8-18)17-7-9-1-2-9/h3-6,9,12,17-18H,1-2,7-8H2
InChIKeyDSZGWZQBPFOXTP-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.62
Rot. Bonds6

About 2-(cyclopropylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol

2-(cyclopropylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol (PubChem CID 61055835) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
PubChem CID61055835
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-(cyclopropylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESOCC(NCC1CC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)19-11-5-3-10(4-6-11)12(8-18)17-7-9-1-2-9/h3-6,9,12,17-18H,1-2,7-8H2
InChIKeyDSZGWZQBPFOXTP-UHFFFAOYSA-N
XLogP2.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61048775
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61047319
2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol
CID 61056447
2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61056618
(2S)-2-cyclohexyl-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 146197513
2-(cyclopropylmethylamino)-2-thiophen-3-ylethanol
CID 61054631
N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 114980102
N-(cyclopropylmethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65385455
N-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65385001
(2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 86712019
2-(cyclopropylmethylamino)-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 107104719
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-(cyclopropylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol (CID 61055835) is 2-(cyclopropylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol is OCC(NCC1CC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is DSZGWZQBPFOXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c14-13(15,16)19-11-5-3-10(4-6-11)12(8-18)17-7-9-1-2-9/h3-6,9,12,17-18H,1-2,7-8H2.
What are the key properties of 2-(cyclopropylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol?
2-(cyclopropylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 275.27 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 61055835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).