2-amino-3-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propan-1-ol;hydrochloride

C14H16ClF3N2O — CID 170892592

IUPAC2-amino-3-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1cccn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2O.ClH/c15-14(16,17)10-3-5-12(6-4-10)19-7-1-2-13(19)8-11(18)9-20;/h1-7,11,20H,8-9,18H2;1H
InChIKeyVXVWCTIRCKORKX-UHFFFAOYSA-N
MW320.74 g/mol
LogP2.78
Rot. Bonds4

About 2-amino-3-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propan-1-ol;hydrochloride

2-amino-3-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propan-1-ol;hydrochloride (PubChem CID 170892592) has the molecular formula C14H16ClF3N2O and a molecular weight of 320.74 g/mol. Its IUPAC name is 2-amino-3-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propan-1-ol;hydrochloride
PubChem CID170892592
Molecular FormulaC14H16ClF3N2O
Molecular Weight320.74 g/mol
Exact Mass320.09
IUPAC Name2-amino-3-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1cccn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2O.ClH/c15-14(16,17)10-3-5-12(6-4-10)19-7-1-2-13(19)8-11(18)9-20;/h1-7,11,20H,8-9,18H2;1H
InChIKeyVXVWCTIRCKORKX-UHFFFAOYSA-N
XLogP2.78
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]ethanamine
CID 147131024
2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 87789027
2-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 155890357
(1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171261024
2-amino-3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
CID 170892960
4-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-en-2-amine
CID 105004659
(2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171226794
2-bromo-3-[4-(trifluoromethyl)phenyl]propanamide
CID 75480705
2-amino-3-[6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-1-ol
CID 170892185
(1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171160389
3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 63215999
2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride
CID 3048994

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propan-1-ol;hydrochloride (CID 170892592) is 2-amino-3-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propan-1-ol;hydrochloride is Cl.NC(CO)Cc1cccn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-amino-3-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propan-1-ol;hydrochloride?
The InChIKey is VXVWCTIRCKORKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O.ClH/c15-14(16,17)10-3-5-12(6-4-10)19-7-1-2-13(19)8-11(18)9-20;/h1-7,11,20H,8-9,18H2;1H.
What are the key properties of 2-amino-3-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propan-1-ol;hydrochloride?
2-amino-3-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propan-1-ol;hydrochloride has a molecular weight of 320.74 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170892592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).