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

C10H12FNO — CID 55296615

IUPAC3-[amino(cyclopropyl)methyl]-4-fluorophenol
SMILESNC(c1cc(O)ccc1F)C1CC1
InChIInChI=1S/C10H12FNO/c11-9-4-3-7(13)5-8(9)10(12)6-1-2-6/h3-6,10,13H,1-2,12H2
InChIKeyUXDXKCCYKGOPLP-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.94
Rot. Bonds2

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

3-[amino(cyclopropyl)methyl]-4-fluorophenol (PubChem CID 55296615) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-[amino(cyclopropyl)methyl]-4-fluorophenol.

Molecular Properties

Compound Name3-[amino(cyclopropyl)methyl]-4-fluorophenol
PubChem CID55296615
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name3-[amino(cyclopropyl)methyl]-4-fluorophenol
SMILESNC(c1cc(O)ccc1F)C1CC1
InChIInChI=1S/C10H12FNO/c11-9-4-3-7(13)5-8(9)10(12)6-1-2-6/h3-6,10,13H,1-2,12H2
InChIKeyUXDXKCCYKGOPLP-UHFFFAOYSA-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

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Related Compounds

4-[(S)-amino(cyclopropyl)methyl]-3-fluorophenol
CID 131064756
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191
3-[(R)-amino(cyclopropyl)methyl]-4-fluorobenzoic acid
CID 162344495
4-[(R)-amino(cyclopropyl)methyl]benzene-1,3-diol;hydrochloride
CID 171200126
4-[amino-(5-bromo-2-fluorophenyl)methyl]cyclohexan-1-ol
CID 116941875
2-[(R)-amino(cyclopropyl)methyl]-4,5-difluorophenol
CID 55274847
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
(R)-cyclopropyl-(2,4,5-trifluorophenyl)methanamine;hydrochloride
CID 171209919
(S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine
CID 131551788
cyclobutyl-(2-fluoro-5-methylphenyl)methanamine
CID 64986676
3-[(S)-amino(cyclopentyl)methyl]-4-bromophenol
CID 131272939
(5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine
CID 114885926

Frequently Asked Questions

What is the IUPAC name of 3-[amino(cyclopropyl)methyl]-4-fluorophenol?
The IUPAC name of 3-[amino(cyclopropyl)methyl]-4-fluorophenol (CID 55296615) is 3-[amino(cyclopropyl)methyl]-4-fluorophenol.
What is the SMILES notation for 3-[amino(cyclopropyl)methyl]-4-fluorophenol?
The canonical SMILES for 3-[amino(cyclopropyl)methyl]-4-fluorophenol is NC(c1cc(O)ccc1F)C1CC1.
What is the InChIKey of 3-[amino(cyclopropyl)methyl]-4-fluorophenol?
The InChIKey is UXDXKCCYKGOPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-9-4-3-7(13)5-8(9)10(12)6-1-2-6/h3-6,10,13H,1-2,12H2.
What are the key properties of 3-[amino(cyclopropyl)methyl]-4-fluorophenol?
3-[amino(cyclopropyl)methyl]-4-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 3-[amino(cyclopropyl)methyl]-4-fluorophenol is sourced from PubChem (CID 55296615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).