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

C18H20FNO — CID 79124334

IUPAC[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)C2(CN)Cc3ccccc3C2)ccc1F
InChIInChI=1S/C18H20FNO/c1-12-8-13(6-7-16(12)19)17(21)18(11-20)9-14-4-2-3-5-15(14)10-18/h2-8,17,21H,9-11,20H2,1H3
InChIKeyDROVMQHOBLLGHX-UHFFFAOYSA-N
MW285.36 g/mol
LogP2.91
Rot. Bonds3

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

[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(4-fluoro-3-methylphenyl)methanol (PubChem CID 79124334) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(4-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(4-fluoro-3-methylphenyl)methanol
PubChem CID79124334
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)C2(CN)Cc3ccccc3C2)ccc1F
InChIInChI=1S/C18H20FNO/c1-12-8-13(6-7-16(12)19)17(21)18(11-20)9-14-4-2-3-5-15(14)10-18/h2-8,17,21H,9-11,20H2,1H3
InChIKeyDROVMQHOBLLGHX-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 45265302
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CID 14023204
2-amino-1-(9H-fluoren-2-yl)ethanol
CID 14023206
(E)-3-amino-1-(3-(2-(2,6,6-trimethylcyclohex-1-enyl)vinyl)phenyl)propan-1-ol
CID 25022350
(R,E)-3-Amino-1-(3-(2-(2,6,6-trimethylcyclohex-1-enyl)vinyl)phenyl)propan-1-ol
CID 25101343
(S,E)-3-amino-1-(3-(2-(2,6,6-trimethylcyclohex-1-enyl)vinyl)phenyl)propan-1-ol
CID 25101344
9-(1-Aminopropan-2-yl)fluoren-9-ol
CID 27025
1-(3,4-difluoro-7-pentyl-9H-fluoren-2-yl)propan-1-ol
CID 17841581
9-(2-Aminoethyl)-5-fluoro-2-methylfluoren-9-ol
CID 59757171
(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
3-Amino-1-(4-fluorophenyl)-2,2-dimethylpropan-1-ol
CID 69909846

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(4-fluoro-3-methylphenyl)methanol?
The IUPAC name of [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(4-fluoro-3-methylphenyl)methanol (CID 79124334) is [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(4-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(4-fluoro-3-methylphenyl)methanol?
The canonical SMILES for [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(4-fluoro-3-methylphenyl)methanol is Cc1cc(C(O)C2(CN)Cc3ccccc3C2)ccc1F.
What is the InChIKey of [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(4-fluoro-3-methylphenyl)methanol?
The InChIKey is DROVMQHOBLLGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12-8-13(6-7-16(12)19)17(21)18(11-20)9-14-4-2-3-5-15(14)10-18/h2-8,17,21H,9-11,20H2,1H3.
What are the key properties of [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(4-fluoro-3-methylphenyl)methanol?
[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(4-fluoro-3-methylphenyl)methanol has a molecular weight of 285.36 g/mol, XLogP of 2.91, 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]-(4-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 79124334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).