4-[(2S)-3-amino-2-(dimethylamino)propyl]-3,5-difluorophenol

C11H16F2N2O — CID 165405452

IUPAC4-[(2S)-3-amino-2-(dimethylamino)propyl]-3,5-difluorophenol
SMILESCN(C)[C@H](CN)Cc1c(F)cc(O)cc1F
InChIInChI=1S/C11H16F2N2O/c1-15(2)7(6-14)3-9-10(12)4-8(16)5-11(9)13/h4-5,7,16H,3,6,14H2,1-2H3/t7-/m0/s1
InChIKeyCQLQZODMQIPZAG-ZETCQYMHSA-N
MW230.26 g/mol
LogP1.10
Rot. Bonds4

About 4-[(2S)-3-amino-2-(dimethylamino)propyl]-3,5-difluorophenol

4-[(2S)-3-amino-2-(dimethylamino)propyl]-3,5-difluorophenol (PubChem CID 165405452) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-[(2S)-3-amino-2-(dimethylamino)propyl]-3,5-difluorophenol.

Molecular Properties

Compound Name4-[(2S)-3-amino-2-(dimethylamino)propyl]-3,5-difluorophenol
PubChem CID165405452
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name4-[(2S)-3-amino-2-(dimethylamino)propyl]-3,5-difluorophenol
SMILESCN(C)[C@H](CN)Cc1c(F)cc(O)cc1F
InChIInChI=1S/C11H16F2N2O/c1-15(2)7(6-14)3-9-10(12)4-8(16)5-11(9)13/h4-5,7,16H,3,6,14H2,1-2H3/t7-/m0/s1
InChIKeyCQLQZODMQIPZAG-ZETCQYMHSA-N
XLogP1.10
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-3-amino-2-(dimethylamino)propyl]-3,5-difluoro-N-methylbenzamide
CID 165405080
1-[4-[(2S)-3-amino-2-(dimethylamino)propyl]-2-fluorophenyl]butan-1-one
CID 167647946
4-[(2S)-3-amino-2-(dimethylamino)propyl]-2,3-difluorobenzamide
CID 165405448
2-N,2-N-dimethylbutane-1,2,4-triamine
CID 18471403
N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-fluoro-4-(trifluoromethyl)benzamide
CID 139568921
2-(1-amino-3-methylbutan-2-yl)-6-fluoro-4-methylphenol
CID 83885476
3-[3-(3,4-difluorophenyl)-2-(dimethylamino)propyl]phenol
CID 174454339
(4S)-4-(dimethylamino)-5-(4-hydroxy-2,6-dimethylphenyl)-2-[[1-(trifluoromethyl)cyclopropyl]methyl]pentanamide
CID 171054464
3-amino-5-fluoro-4-methylphenol
CID 131277286
4-[(2S)-3-amino-2-(dimethylamino)propyl]-2-fluoro-N,3-dimethylbenzamide
CID 166025377
(2,6-difluoro-4-methylphenyl)methanamine
CID 118595303
4-[3-amino-2-(dimethylamino)propyl]-N,3-dimethylbenzamide
CID 165405062

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-amino-2-(dimethylamino)propyl]-3,5-difluorophenol?
The IUPAC name of 4-[(2S)-3-amino-2-(dimethylamino)propyl]-3,5-difluorophenol (CID 165405452) is 4-[(2S)-3-amino-2-(dimethylamino)propyl]-3,5-difluorophenol.
What is the SMILES notation for 4-[(2S)-3-amino-2-(dimethylamino)propyl]-3,5-difluorophenol?
The canonical SMILES for 4-[(2S)-3-amino-2-(dimethylamino)propyl]-3,5-difluorophenol is CN(C)[C@H](CN)Cc1c(F)cc(O)cc1F.
What is the InChIKey of 4-[(2S)-3-amino-2-(dimethylamino)propyl]-3,5-difluorophenol?
The InChIKey is CQLQZODMQIPZAG-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-15(2)7(6-14)3-9-10(12)4-8(16)5-11(9)13/h4-5,7,16H,3,6,14H2,1-2H3/t7-/m0/s1.
What are the key properties of 4-[(2S)-3-amino-2-(dimethylamino)propyl]-3,5-difluorophenol?
4-[(2S)-3-amino-2-(dimethylamino)propyl]-3,5-difluorophenol has a molecular weight of 230.26 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-amino-2-(dimethylamino)propyl]-3,5-difluorophenol is sourced from PubChem (CID 165405452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).