[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(3-fluorophenyl)methanol

C17H18FNO — CID 79138516

IUPAC[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(3-fluorophenyl)methanol
SMILESNCC1(C(O)c2cccc(F)c2)Cc2ccccc2C1
InChIInChI=1S/C17H18FNO/c18-15-7-3-6-12(8-15)16(20)17(11-19)9-13-4-1-2-5-14(13)10-17/h1-8,16,20H,9-11,19H2
InChIKeyQNWGYILTSFLBRA-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.60
Rot. Bonds3

About [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(3-fluorophenyl)methanol

[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(3-fluorophenyl)methanol (PubChem CID 79138516) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(3-fluorophenyl)methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(3-fluorophenyl)methanol
PubChem CID79138516
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(3-fluorophenyl)methanol
SMILESNCC1(C(O)c2cccc(F)c2)Cc2ccccc2C1
InChIInChI=1S/C17H18FNO/c18-15-7-3-6-12(8-15)16(20)17(11-19)9-13-4-1-2-5-14(13)10-17/h1-8,16,20H,9-11,19H2
InChIKeyQNWGYILTSFLBRA-UHFFFAOYSA-N
XLogP2.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(3-fluorophenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol
CID 79137949
[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(5-bromo-2-fluorophenyl)methanol
CID 79123889
[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(1-ethylpyrazol-4-yl)methanol
CID 103570945
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2,2-dimethylpropan-1-ol
CID 79137553
(1-aminocyclohexyl)-(3-fluorophenyl)methanol
CID 82287146
1-[1-(aminomethyl)cyclopropyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine
CID 116912305
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-ethylbutan-1-ol
CID 79138711
[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(2-methylpyrimidin-4-yl)methanol
CID 115530055
[1-(aminomethyl)cyclobutyl]-(3,4-difluorophenyl)methanol
CID 79137860
[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(2-bromophenyl)methanol
CID 79123873
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-cyclopropylmethanol
CID 79137895

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(3-fluorophenyl)methanol?
The IUPAC name of [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(3-fluorophenyl)methanol (CID 79138516) is [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(3-fluorophenyl)methanol.
What is the SMILES notation for [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(3-fluorophenyl)methanol?
The canonical SMILES for [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(3-fluorophenyl)methanol is NCC1(C(O)c2cccc(F)c2)Cc2ccccc2C1.
What is the InChIKey of [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(3-fluorophenyl)methanol?
The InChIKey is QNWGYILTSFLBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c18-15-7-3-6-12(8-15)16(20)17(11-19)9-13-4-1-2-5-14(13)10-17/h1-8,16,20H,9-11,19H2.
What are the key properties of [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(3-fluorophenyl)methanol?
[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(3-fluorophenyl)methanol has a molecular weight of 271.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(3-fluorophenyl)methanol is sourced from PubChem (CID 79138516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).