[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-fluoro-3-methylphenyl)methanol

C18H20FNO — CID 79124331

IUPAC[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)C2(CN)CCc3ccccc32)ccc1F
InChIInChI=1S/C18H20FNO/c1-12-10-14(6-7-16(12)19)17(21)18(11-20)9-8-13-4-2-3-5-15(13)18/h2-7,10,17,21H,8-9,11,20H2,1H3
InChIKeyCECAYKNVJXORPL-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.01
Rot. Bonds3

About [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-fluoro-3-methylphenyl)methanol

[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-fluoro-3-methylphenyl)methanol (PubChem CID 79124331) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-fluoro-3-methylphenyl)methanol
PubChem CID79124331
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)C2(CN)CCc3ccccc32)ccc1F
InChIInChI=1S/C18H20FNO/c1-12-10-14(6-7-16(12)19)17(21)18(11-20)9-8-13-4-2-3-5-15(13)18/h2-7,10,17,21H,8-9,11,20H2,1H3
InChIKeyCECAYKNVJXORPL-UHFFFAOYSA-N
XLogP3.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3,4-difluoro-7-pentyl-9H-fluoren-2-yl)propan-1-ol
CID 17841581
(1RS,2RS)-2-amino-3-[4-(tert-butyl)benzyl]-1-(4-fluorophenyl)propan-1-ol
CID 22261419
2-Amino-1-(4-fluorophenyl)-3-(3-propan-2-ylphenyl)propan-1-ol
CID 22261542
[2-(2-Aminoethyl)phenyl]-(4-fluorophenyl)methanol
CID 57078118
9-(2-Aminoethyl)-5-fluoro-2-methylfluoren-9-ol
CID 59757171
[3-[(2-amino-2,3-dihydro-1H-inden-5-yl)methyl]-5-(trifluoromethyl)phenyl]methanol
CID 66733721
(S)-(3-((2-amino-2,3-dihydro-1H-inden-5-yl)methyl)-5-(trifluoromethyl)phenyl)methanol
CID 66733722
(1R,2R)-2-amino-1-(2-fluorophenyl)-3-methyl-4-(2-methylphenyl)butan-1-ol
CID 67672509
2-Amino-1-(2-fluorophenyl)-3-methyl-4-(2-methylphenyl)butan-1-ol
CID 67672511

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-fluoro-3-methylphenyl)methanol?
The IUPAC name of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-fluoro-3-methylphenyl)methanol (CID 79124331) is [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-fluoro-3-methylphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-fluoro-3-methylphenyl)methanol is Cc1cc(C(O)C2(CN)CCc3ccccc32)ccc1F.
What is the InChIKey of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-fluoro-3-methylphenyl)methanol?
The InChIKey is CECAYKNVJXORPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12-10-14(6-7-16(12)19)17(21)18(11-20)9-8-13-4-2-3-5-15(13)18/h2-7,10,17,21H,8-9,11,20H2,1H3.
What are the key properties of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-fluoro-3-methylphenyl)methanol?
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-fluoro-3-methylphenyl)methanol has a molecular weight of 285.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 79124331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).