4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride

C11H15ClFNO — CID 171199182

IUPAC4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride
SMILESCl.N[C@H](CC1CC1)c1ccc(O)cc1F
InChIInChI=1S/C11H14FNO.ClH/c12-10-6-8(14)3-4-9(10)11(13)5-7-1-2-7;/h3-4,6-7,11,14H,1-2,5,13H2;1H/t11-;/m1./s1
InChIKeyDJKKBACFMOEDDC-RFVHGSKJSA-N
MW231.70 g/mol
LogP2.75
Rot. Bonds3

About 4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride

4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride (PubChem CID 171199182) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride
PubChem CID171199182
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride
SMILESCl.N[C@H](CC1CC1)c1ccc(O)cc1F
InChIInChI=1S/C11H14FNO.ClH/c12-10-6-8(14)3-4-9(10)11(13)5-7-1-2-7;/h3-4,6-7,11,14H,1-2,5,13H2;1H/t11-;/m1./s1
InChIKeyDJKKBACFMOEDDC-RFVHGSKJSA-N
XLogP2.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-amino-2-hydroxyethyl)-3-fluorophenol
CID 55282976
4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride
CID 171200749
4-[(S)-amino(cyclopropyl)methyl]-3-fluorophenol
CID 131064756
4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol
CID 55270720
4-[(1R)-1-aminobut-3-enyl]-3-fluorophenol
CID 55292217
1-(4-bromo-2-fluorophenyl)-2-(oxan-4-yl)ethanamine
CID 114905994
2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 79016147
2-(1-amino-2-cyclopropylethyl)-6-fluorophenol
CID 55268848
1-(2,4-difluorophenyl)-2-(thian-4-yl)ethanamine
CID 105143676
4-[(1S)-1-aminohexyl]-3-fluorophenol;hydrochloride
CID 171218697
2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171220494
3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171218055

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride (CID 171199182) is 4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride is Cl.N[C@H](CC1CC1)c1ccc(O)cc1F.
What is the InChIKey of 4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride?
The InChIKey is DJKKBACFMOEDDC-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H14FNO.ClH/c12-10-6-8(14)3-4-9(10)11(13)5-7-1-2-7;/h3-4,6-7,11,14H,1-2,5,13H2;1H/t11-;/m1./s1.
What are the key properties of 4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride?
4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride has a molecular weight of 231.70 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride is sourced from PubChem (CID 171199182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).