3-(benzylamino)-1-(4-fluoro-2-iodophenyl)propan-1-ol

C16H17FINO — CID 11740772

IUPAC3-(benzylamino)-1-(4-fluoro-2-iodophenyl)propan-1-ol
SMILESOC(CCNCc1ccccc1)c1ccc(F)cc1I
InChIInChI=1S/C16H17FINO/c17-13-6-7-14(15(18)10-13)16(20)8-9-19-11-12-4-2-1-3-5-12/h1-7,10,16,19-20H,8-9,11H2
InChIKeyIUVJZIDDQDPSAI-UHFFFAOYSA-N
MW385.22 g/mol
LogP3.64
Rot. Bonds6

About 3-(benzylamino)-1-(4-fluoro-2-iodophenyl)propan-1-ol

3-(benzylamino)-1-(4-fluoro-2-iodophenyl)propan-1-ol (PubChem CID 11740772) has the molecular formula C16H17FINO and a molecular weight of 385.22 g/mol. Its IUPAC name is 3-(benzylamino)-1-(4-fluoro-2-iodophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(benzylamino)-1-(4-fluoro-2-iodophenyl)propan-1-ol
PubChem CID11740772
Molecular FormulaC16H17FINO
Molecular Weight385.22 g/mol
Exact Mass385.03
IUPAC Name3-(benzylamino)-1-(4-fluoro-2-iodophenyl)propan-1-ol
SMILESOC(CCNCc1ccccc1)c1ccc(F)cc1I
InChIInChI=1S/C16H17FINO/c17-13-6-7-14(15(18)10-13)16(20)8-9-19-11-12-4-2-1-3-5-12/h1-7,10,16,19-20H,8-9,11H2
InChIKeyIUVJZIDDQDPSAI-UHFFFAOYSA-N
XLogP3.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-3-(benzylamino)-1-(2-methylphenyl)propan-1-ol
CID 134955174
(1S)-2-(benzylamino)-1-(4-fluoro-2-methoxyphenyl)ethanol
CID 72725320
(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol
CID 96500370
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
3-(benzylamino)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)propan-1-ol
CID 166798745
(2S,3S)-5-(benzylamino)pentane-1,2,3-triol
CID 22804690
(1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol
CID 94281330
(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol
CID 1477381
1-(2,5-difluorophenyl)-2-phenylethanol
CID 61101479
N-benzyl-2-(2,5-difluorophenoxy)ethanamine
CID 63273196
N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine
CID 60752788
2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanol
CID 105377699

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-1-(4-fluoro-2-iodophenyl)propan-1-ol?
The IUPAC name of 3-(benzylamino)-1-(4-fluoro-2-iodophenyl)propan-1-ol (CID 11740772) is 3-(benzylamino)-1-(4-fluoro-2-iodophenyl)propan-1-ol.
What is the SMILES notation for 3-(benzylamino)-1-(4-fluoro-2-iodophenyl)propan-1-ol?
The canonical SMILES for 3-(benzylamino)-1-(4-fluoro-2-iodophenyl)propan-1-ol is OC(CCNCc1ccccc1)c1ccc(F)cc1I.
What is the InChIKey of 3-(benzylamino)-1-(4-fluoro-2-iodophenyl)propan-1-ol?
The InChIKey is IUVJZIDDQDPSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FINO/c17-13-6-7-14(15(18)10-13)16(20)8-9-19-11-12-4-2-1-3-5-12/h1-7,10,16,19-20H,8-9,11H2.
What are the key properties of 3-(benzylamino)-1-(4-fluoro-2-iodophenyl)propan-1-ol?
3-(benzylamino)-1-(4-fluoro-2-iodophenyl)propan-1-ol has a molecular weight of 385.22 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-1-(4-fluoro-2-iodophenyl)propan-1-ol is sourced from PubChem (CID 11740772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).