1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride

C13H17ClF3NO — CID 134541503

IUPAC1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
SMILESCC(N)c1ccc(C(F)(F)F)c(OCC2CC2)c1.Cl
InChIInChI=1S/C13H16F3NO.ClH/c1-8(17)10-4-5-11(13(14,15)16)12(6-10)18-7-9-2-3-9;/h4-6,8-9H,2-3,7,17H2,1H3;1H
InChIKeyRXXQOGSBDSWBCU-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.94
Rot. Bonds4

About 1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride

1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride (PubChem CID 134541503) has the molecular formula C13H17ClF3NO and a molecular weight of 295.73 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
PubChem CID134541503
Molecular FormulaC13H17ClF3NO
Molecular Weight295.73 g/mol
Exact Mass295.10
IUPAC Name1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
SMILESCC(N)c1ccc(C(F)(F)F)c(OCC2CC2)c1.Cl
InChIInChI=1S/C13H16F3NO.ClH/c1-8(17)10-4-5-11(13(14,15)16)12(6-10)18-7-9-2-3-9;/h4-6,8-9H,2-3,7,17H2,1H3;1H
InChIKeyRXXQOGSBDSWBCU-UHFFFAOYSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-N-methylethanamine
CID 134558220
4-[(2S)-but-3-en-2-yl]-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene
CID 146228264
1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine
CID 126963402
1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 61344621
(1R)-1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 55191148
(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine
CID 79034595
1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride
CID 171689372
1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]propan-1-one
CID 161120964
1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
CID 170894105
1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170893909
ethyl 2-[5-[(3R)-3-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]butyl]sulfonylpentylamino]acetate
CID 145227636
1-(cyclopropylmethoxy)-2-propan-2-yloxy-3-(trifluoromethyl)benzene
CID 165344503

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The IUPAC name of 1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride (CID 134541503) is 1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride is CC(N)c1ccc(C(F)(F)F)c(OCC2CC2)c1.Cl.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The InChIKey is RXXQOGSBDSWBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO.ClH/c1-8(17)10-4-5-11(13(14,15)16)12(6-10)18-7-9-2-3-9;/h4-6,8-9H,2-3,7,17H2,1H3;1H.
What are the key properties of 1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride has a molecular weight of 295.73 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 134541503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).