[3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol

C17H18FNO — CID 103781789

IUPAC[3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
SMILESOCc1cccc(CNC2CCc3c(F)cccc32)c1
InChIInChI=1S/C17H18FNO/c18-16-6-2-5-15-14(16)7-8-17(15)19-10-12-3-1-4-13(9-12)11-20/h1-6,9,17,19-20H,7-8,10-11H2
InChIKeyGTIWAXXGGOICQY-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.10
Rot. Bonds4

About [3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol

[3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol (PubChem CID 103781789) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is [3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
PubChem CID103781789
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name[3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
SMILESOCc1cccc(CNC2CCc3c(F)cccc32)c1
InChIInChI=1S/C17H18FNO/c18-16-6-2-5-15-14(16)7-8-17(15)19-10-12-3-1-4-13(9-12)11-20/h1-6,9,17,19-20H,7-8,10-11H2
InChIKeyGTIWAXXGGOICQY-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol with MolForge

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Related Compounds

4-fluoro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978052
4-fluoro-N-(2-phenylethyl)-2,3-dihydro-1H-inden-1-amine
CID 79483582
N-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 78978173
[3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
CID 103781821
1-[(3-bromophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 61401434
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
[3-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]phenyl]methanol
CID 103781819
4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 79483751
4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 83065642
4-fluoro-N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 83065500
4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol
CID 81343552
[3-[[[(5R)-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]methyl]phenyl]methanol
CID 99782512

Frequently Asked Questions

What is the IUPAC name of [3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol (CID 103781789) is [3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol is OCc1cccc(CNC2CCc3c(F)cccc32)c1.
What is the InChIKey of [3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol?
The InChIKey is GTIWAXXGGOICQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c18-16-6-2-5-15-14(16)7-8-17(15)19-10-12-3-1-4-13(9-12)11-20/h1-6,9,17,19-20H,7-8,10-11H2.
What are the key properties of [3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol?
[3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol has a molecular weight of 271.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 103781789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).