3-amino-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol

C17H18FNO — CID 107089511

IUPAC3-amino-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol
SMILESCc1ccc(F)cc1CC1(O)CC(N)c2ccccc21
InChIInChI=1S/C17H18FNO/c1-11-6-7-13(18)8-12(11)9-17(20)10-16(19)14-4-2-3-5-15(14)17/h2-8,16,20H,9-10,19H2,1H3
InChIKeyUDTMZNDCMNZFSZ-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.97
Rot. Bonds2

About 3-amino-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol

3-amino-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol (PubChem CID 107089511) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-amino-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol
PubChem CID107089511
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name3-amino-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol
SMILESCc1ccc(F)cc1CC1(O)CC(N)c2ccccc21
InChIInChI=1S/C17H18FNO/c1-11-6-7-13(18)8-12(11)9-17(20)10-16(19)14-4-2-3-5-15(14)17/h2-8,16,20H,9-10,19H2,1H3
InChIKeyUDTMZNDCMNZFSZ-UHFFFAOYSA-N
XLogP2.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9-(1-Aminopropan-2-yl)-9H-fluoren-9-ol--hydrogen chloride (1/1)
CID 27024
3-amino-2,3-dihydro-1H-inden-1-ol
CID 9855521
1-Indanol, 2-(alpha-aminobenzyl)-, hydrochloride, cis-(+-)-
CID 213905
Brn 2140139
CID 215778
4-(Aminomethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492472
(1R,2E,3R)-2-benzylidene-3-(cyclohexylamino)-1,3-dihydroinden-1-ol
CID 69953974
rac-(1R,3S)-3-amino-2,3-dihydro-1H-inden-1-ol hydrochloride
CID 154878828
(1S,3S)-3-Amino-2,3-dihydro-1H-inden-1-ol
CID 12013033
(1R,3S)-3-Amino-2,3-dihydro-1H-inden-1-ol
CID 12013035
9-(1-Aminopropan-2-yl)fluoren-9-ol
CID 27025
5-Fluoro-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-ol
CID 20463007
(1R,3S)-3-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol
CID 58426091

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol (CID 107089511) is 3-amino-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol is Cc1ccc(F)cc1CC1(O)CC(N)c2ccccc21.
What is the InChIKey of 3-amino-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is UDTMZNDCMNZFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-11-6-7-13(18)8-12(11)9-17(20)10-16(19)14-4-2-3-5-15(14)17/h2-8,16,20H,9-10,19H2,1H3.
What are the key properties of 3-amino-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol?
3-amino-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol has a molecular weight of 271.34 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107089511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).