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

C11H15ClF3NO — CID 171226401

IUPAC(4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCCO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO.ClH/c12-11(13,14)9-4-1-3-8(7-9)10(15)5-2-6-16;/h1,3-4,7,10,16H,2,5-6,15H2;1H/t10-;/m0./s1
InChIKeyGAMNOHLBBCHRSM-PPHPATTJSA-N
MW269.69 g/mol
LogP2.90
Rot. Bonds4

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

(4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride (PubChem CID 171226401) has the molecular formula C11H15ClF3NO and a molecular weight of 269.69 g/mol. Its IUPAC name is (4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
PubChem CID171226401
Molecular FormulaC11H15ClF3NO
Molecular Weight269.69 g/mol
Exact Mass269.08
IUPAC Name(4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCCO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO.ClH/c12-11(13,14)9-4-1-3-8(7-9)10(15)5-2-6-16;/h1,3-4,7,10,16H,2,5-6,15H2;1H/t10-;/m0./s1
InChIKeyGAMNOHLBBCHRSM-PPHPATTJSA-N
XLogP2.90
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171226375
(1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171206800
(4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride
CID 171209897
(1R)-3-methyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171206817
(4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171209513
2-nitro-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 68646447
(4S)-4-amino-4-[2-bromo-5-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171226799
2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 166520305
(4R)-4-amino-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-ol
CID 171208640
3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 105141503
1-[3-(trifluoromethyl)phenyl]hept-4-en-1-amine
CID 174057560
2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43825128

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride?
The IUPAC name of (4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride (CID 171226401) is (4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride.
What is the SMILES notation for (4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride?
The canonical SMILES for (4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride is Cl.N[C@@H](CCCO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride?
The InChIKey is GAMNOHLBBCHRSM-PPHPATTJSA-N. The full InChI is InChI=1S/C11H14F3NO.ClH/c12-11(13,14)9-4-1-3-8(7-9)10(15)5-2-6-16;/h1,3-4,7,10,16H,2,5-6,15H2;1H/t10-;/m0./s1.
What are the key properties of (4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride?
(4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride has a molecular weight of 269.69 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride is sourced from PubChem (CID 171226401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).