(1R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride

C19H23ClF3NO — CID 44522709

IUPAC(1R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride
SMILESCc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1.Cl
InChIInChI=1S/C19H22F3NO.ClH/c1-13-6-8-15(9-7-13)10-14(2)23-12-18(24)16-4-3-5-17(11-16)19(20,21)22;/h3-9,11,14,18,23-24H,10,12H2,1-2H3;1H/t14-,18+;/m1./s1
InChIKeyNPPGKSBHMDGRBG-CQZNTPMBSA-N
MW373.85 g/mol
LogP4.69
Rot. Bonds6

About (1R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride

(1R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride (PubChem CID 44522709) has the molecular formula C19H23ClF3NO and a molecular weight of 373.85 g/mol. Its IUPAC name is (1R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name(1R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride
PubChem CID44522709
Molecular FormulaC19H23ClF3NO
Molecular Weight373.85 g/mol
Exact Mass373.14
IUPAC Name(1R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride
SMILESCc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1.Cl
InChIInChI=1S/C19H22F3NO.ClH/c1-13-6-8-15(9-7-13)10-14(2)23-12-18(24)16-4-3-5-17(11-16)19(20,21)22;/h3-9,11,14,18,23-24H,10,12H2,1-2H3;1H/t14-,18+;/m1./s1
InChIKeyNPPGKSBHMDGRBG-CQZNTPMBSA-N
XLogP4.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.85
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The IUPAC name of (1R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride (CID 44522709) is (1R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride.
What is the SMILES notation for (1R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The canonical SMILES for (1R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride is Cc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1.Cl.
What is the InChIKey of (1R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The InChIKey is NPPGKSBHMDGRBG-CQZNTPMBSA-N. The full InChI is InChI=1S/C19H22F3NO.ClH/c1-13-6-8-15(9-7-13)10-14(2)23-12-18(24)16-4-3-5-17(11-16)19(20,21)22;/h3-9,11,14,18,23-24H,10,12H2,1-2H3;1H/t14-,18+;/m1./s1.
What are the key properties of (1R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride?
(1R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride has a molecular weight of 373.85 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride is sourced from PubChem (CID 44522709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).