[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(5-bromo-2-fluorophenyl)methanol

C17H17BrFNO — CID 79123889

IUPAC[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(5-bromo-2-fluorophenyl)methanol
SMILESNCC1(C(O)c2cc(Br)ccc2F)Cc2ccccc2C1
InChIInChI=1S/C17H17BrFNO/c18-13-5-6-15(19)14(7-13)16(21)17(10-20)8-11-3-1-2-4-12(11)9-17/h1-7,16,21H,8-10,20H2
InChIKeyGGCKMHNQAUQGFW-UHFFFAOYSA-N
MW350.23 g/mol
LogP3.37
Rot. Bonds3

About [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(5-bromo-2-fluorophenyl)methanol

[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(5-bromo-2-fluorophenyl)methanol (PubChem CID 79123889) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(5-bromo-2-fluorophenyl)methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(5-bromo-2-fluorophenyl)methanol
PubChem CID79123889
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(5-bromo-2-fluorophenyl)methanol
SMILESNCC1(C(O)c2cc(Br)ccc2F)Cc2ccccc2C1
InChIInChI=1S/C17H17BrFNO/c18-13-5-6-15(19)14(7-13)16(21)17(10-20)8-11-3-1-2-4-12(11)9-17/h1-7,16,21H,8-10,20H2
InChIKeyGGCKMHNQAUQGFW-UHFFFAOYSA-N
XLogP3.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(3-fluorophenyl)methanol
CID 79138516
[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(2-bromophenyl)methanol
CID 79123873
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(5-bromo-2-fluorophenyl)methanol
CID 79138626
[1-(aminomethyl)-4-methylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol
CID 79138719
1-[1-(aminomethyl)cyclobutyl]-1-(5-bromo-2-fluorophenyl)-N-methylmethanamine
CID 116958816
amino-(5-bromo-2-fluorophenyl)methanol
CID 116939684
[1-(aminomethyl)cyclobutyl]-(5-bromo-2-methoxyphenyl)methanol
CID 79135689
(5-bromo-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol
CID 79742832
2,4-diamino-1-(5-bromo-2-fluorophenyl)butan-1-ol
CID 83933858
1-(5-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001576
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599
[1-(aminomethyl)-3-ethylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol
CID 79137679

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(5-bromo-2-fluorophenyl)methanol?
The IUPAC name of [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(5-bromo-2-fluorophenyl)methanol (CID 79123889) is [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(5-bromo-2-fluorophenyl)methanol.
What is the SMILES notation for [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(5-bromo-2-fluorophenyl)methanol?
The canonical SMILES for [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(5-bromo-2-fluorophenyl)methanol is NCC1(C(O)c2cc(Br)ccc2F)Cc2ccccc2C1.
What is the InChIKey of [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(5-bromo-2-fluorophenyl)methanol?
The InChIKey is GGCKMHNQAUQGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c18-13-5-6-15(19)14(7-13)16(21)17(10-20)8-11-3-1-2-4-12(11)9-17/h1-7,16,21H,8-10,20H2.
What are the key properties of [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(5-bromo-2-fluorophenyl)methanol?
[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(5-bromo-2-fluorophenyl)methanol has a molecular weight of 350.23 g/mol, XLogP of 3.37, 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]-(5-bromo-2-fluorophenyl)methanol is sourced from PubChem (CID 79123889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).