3-amino-3-(3-fluoro-5-iodo-4-methylphenyl)propan-1-ol

C10H13FINO — CID 130060827

IUPAC3-amino-3-(3-fluoro-5-iodo-4-methylphenyl)propan-1-ol
SMILESCc1c(F)cc(C(N)CCO)cc1I
InChIInChI=1S/C10H13FINO/c1-6-8(11)4-7(5-9(6)12)10(13)2-3-14/h4-5,10,14H,2-3,13H2,1H3
InChIKeyCCXJLFBHDPNOOS-UHFFFAOYSA-N
MW309.12 g/mol
LogP2.12
Rot. Bonds3

About 3-amino-3-(3-fluoro-5-iodo-4-methylphenyl)propan-1-ol

3-amino-3-(3-fluoro-5-iodo-4-methylphenyl)propan-1-ol (PubChem CID 130060827) has the molecular formula C10H13FINO and a molecular weight of 309.12 g/mol. Its IUPAC name is 3-amino-3-(3-fluoro-5-iodo-4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(3-fluoro-5-iodo-4-methylphenyl)propan-1-ol
PubChem CID130060827
Molecular FormulaC10H13FINO
Molecular Weight309.12 g/mol
Exact Mass309.00
IUPAC Name3-amino-3-(3-fluoro-5-iodo-4-methylphenyl)propan-1-ol
SMILESCc1c(F)cc(C(N)CCO)cc1I
InChIInChI=1S/C10H13FINO/c1-6-8(11)4-7(5-9(6)12)10(13)2-3-14/h4-5,10,14H,2-3,13H2,1H3
InChIKeyCCXJLFBHDPNOOS-UHFFFAOYSA-N
XLogP2.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-(3-fluoro-5-iodo-4-methylphenyl)propanenitrile
CID 130061288
3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol
CID 84774435
3-amino-3-(3,4-difluoro-5-methoxyphenyl)propan-1-ol
CID 84785101
(3R)-3-amino-3-(3,5-difluorophenyl)propan-1-ol;hydrochloride
CID 171204525
(3S)-3-amino-3-(3,4-difluorophenyl)propan-1-ol;hydrochloride
CID 171229659
3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propan-1-ol
CID 84781818
5-(1-amino-3-hydroxypropyl)benzene-1,2,3-triol;hydrochloride
CID 170874409
4-[(1R)-1,4-diaminobutyl]-2,6-diiodophenol
CID 171215819
(3R)-3-amino-3-(2-fluoro-6-iodophenyl)propan-1-ol
CID 130706379
4-[(1S)-1,5-diaminopentyl]-2,6-diiodophenol
CID 171235454
5-(1-amino-3-hydroxypropyl)-2-iodophenol
CID 131028751
3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride
CID 170874594

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-fluoro-5-iodo-4-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(3-fluoro-5-iodo-4-methylphenyl)propan-1-ol (CID 130060827) is 3-amino-3-(3-fluoro-5-iodo-4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(3-fluoro-5-iodo-4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(3-fluoro-5-iodo-4-methylphenyl)propan-1-ol is Cc1c(F)cc(C(N)CCO)cc1I.
What is the InChIKey of 3-amino-3-(3-fluoro-5-iodo-4-methylphenyl)propan-1-ol?
The InChIKey is CCXJLFBHDPNOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FINO/c1-6-8(11)4-7(5-9(6)12)10(13)2-3-14/h4-5,10,14H,2-3,13H2,1H3.
What are the key properties of 3-amino-3-(3-fluoro-5-iodo-4-methylphenyl)propan-1-ol?
3-amino-3-(3-fluoro-5-iodo-4-methylphenyl)propan-1-ol has a molecular weight of 309.12 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-fluoro-5-iodo-4-methylphenyl)propan-1-ol is sourced from PubChem (CID 130060827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).