(3S)-3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol;hydrochloride

C16H17ClF3NO — CID 171231171

IUPAC(3S)-3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCO)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H16F3NO.ClH/c17-16(18,19)14-7-5-12(6-8-14)11-1-3-13(4-2-11)15(20)9-10-21;/h1-8,15,21H,9-10,20H2;1H/t15-;/m0./s1
InChIKeyLEEODRAIOZSEGZ-RSAXXLAASA-N
MW331.77 g/mol
LogP4.18
Rot. Bonds4

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

(3S)-3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol;hydrochloride (PubChem CID 171231171) has the molecular formula C16H17ClF3NO and a molecular weight of 331.77 g/mol. Its IUPAC name is (3S)-3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol;hydrochloride
PubChem CID171231171
Molecular FormulaC16H17ClF3NO
Molecular Weight331.77 g/mol
Exact Mass331.10
IUPAC Name(3S)-3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCO)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H16F3NO.ClH/c17-16(18,19)14-7-5-12(6-8-14)11-1-3-13(4-2-11)15(20)9-10-21;/h1-8,15,21H,9-10,20H2;1H/t15-;/m0./s1
InChIKeyLEEODRAIOZSEGZ-RSAXXLAASA-N
XLogP4.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol
CID 170875067
3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride
CID 170875108
3-amino-3-(4-phenylphenyl)propan-1-ol;hydrochloride
CID 170874439
1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 61032956
(1R)-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride
CID 171199075
3-methoxy-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62790379
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
(1S)-1-[4-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171218575
(1R)-1-[4-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171199061
2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 67981332
(1R)-3,3-difluoro-1-[4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313460
(3R)-3-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol
CID 171207279

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol;hydrochloride (CID 171231171) is (3S)-3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol;hydrochloride is Cl.N[C@@H](CCO)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (3S)-3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol;hydrochloride?
The InChIKey is LEEODRAIOZSEGZ-RSAXXLAASA-N. The full InChI is InChI=1S/C16H16F3NO.ClH/c17-16(18,19)14-7-5-12(6-8-14)11-1-3-13(4-2-11)15(20)9-10-21;/h1-8,15,21H,9-10,20H2;1H/t15-;/m0./s1.
What are the key properties of (3S)-3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol;hydrochloride?
(3S)-3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol;hydrochloride has a molecular weight of 331.77 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 171231171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).