4-[(S)-amino(cyclopropyl)methyl]-3-fluorophenol

C10H12FNO — CID 131064756

IUPAC4-[(S)-amino(cyclopropyl)methyl]-3-fluorophenol
SMILESN[C@H](c1ccc(O)cc1F)C1CC1
InChIInChI=1S/C10H12FNO/c11-9-5-7(13)3-4-8(9)10(12)6-1-2-6/h3-6,10,13H,1-2,12H2/t10-/m0/s1
InChIKeyYCAFINXAPSWFQY-JTQLQIEISA-N
MW181.21 g/mol
LogP1.94
Rot. Bonds2

About 4-[(S)-amino(cyclopropyl)methyl]-3-fluorophenol

4-[(S)-amino(cyclopropyl)methyl]-3-fluorophenol (PubChem CID 131064756) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 4-[(S)-amino(cyclopropyl)methyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[(S)-amino(cyclopropyl)methyl]-3-fluorophenol
PubChem CID131064756
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name4-[(S)-amino(cyclopropyl)methyl]-3-fluorophenol
SMILESN[C@H](c1ccc(O)cc1F)C1CC1
InChIInChI=1S/C10H12FNO/c11-9-5-7(13)3-4-8(9)10(12)6-1-2-6/h3-6,10,13H,1-2,12H2/t10-/m0/s1
InChIKeyYCAFINXAPSWFQY-JTQLQIEISA-N
XLogP1.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(S)-amino(cyclopropyl)methyl]-3-fluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[amino(cyclopropyl)methyl]-4-fluorophenol
CID 55296615
4-[(R)-amino(cyclopropyl)methyl]benzene-1,3-diol;hydrochloride
CID 171200126
(R)-(4-bromo-2-fluorophenyl)-cyclopropylmethanamine
CID 130968166
(S)-(4-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131258219
4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride
CID 171199182
2-[(R)-amino(cyclopropyl)methyl]-4,5-difluorophenol
CID 55274847
(R)-cyclopropyl-(2,4,5-trifluorophenyl)methanamine;hydrochloride
CID 171209919
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine
CID 131545963
4-(1-amino-2-hydroxyethyl)-3-fluorophenol
CID 55282976
(S)-(4-bromo-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239339
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride
CID 171221506
cyclohexyl-(2-fluoro-4-methylphenyl)methanamine
CID 114981199

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-amino(cyclopropyl)methyl]-3-fluorophenol?
The IUPAC name of 4-[(S)-amino(cyclopropyl)methyl]-3-fluorophenol (CID 131064756) is 4-[(S)-amino(cyclopropyl)methyl]-3-fluorophenol.
What is the SMILES notation for 4-[(S)-amino(cyclopropyl)methyl]-3-fluorophenol?
The canonical SMILES for 4-[(S)-amino(cyclopropyl)methyl]-3-fluorophenol is N[C@H](c1ccc(O)cc1F)C1CC1.
What is the InChIKey of 4-[(S)-amino(cyclopropyl)methyl]-3-fluorophenol?
The InChIKey is YCAFINXAPSWFQY-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12FNO/c11-9-5-7(13)3-4-8(9)10(12)6-1-2-6/h3-6,10,13H,1-2,12H2/t10-/m0/s1.
What are the key properties of 4-[(S)-amino(cyclopropyl)methyl]-3-fluorophenol?
4-[(S)-amino(cyclopropyl)methyl]-3-fluorophenol has a molecular weight of 181.21 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-amino(cyclopropyl)methyl]-3-fluorophenol is sourced from PubChem (CID 131064756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).