[6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanamine

C17H16ClFN2 — CID 105372683

IUPAC[6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanamine
SMILESCc1ccc(F)cc1Cn1cc(CN)c2ccc(Cl)cc21
InChIInChI=1S/C17H16ClFN2/c1-11-2-4-15(19)6-12(11)9-21-10-13(8-20)16-5-3-14(18)7-17(16)21/h2-7,10H,8-9,20H2,1H3
InChIKeyXBIVUALLHIMYKR-UHFFFAOYSA-N
MW302.78 g/mol
LogP4.25
Rot. Bonds3

About [6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanamine

[6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanamine (PubChem CID 105372683) has the molecular formula C17H16ClFN2 and a molecular weight of 302.78 g/mol. Its IUPAC name is [6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanamine.

Molecular Properties

Compound Name[6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanamine
PubChem CID105372683
Molecular FormulaC17H16ClFN2
Molecular Weight302.78 g/mol
Exact Mass302.10
IUPAC Name[6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanamine
SMILESCc1ccc(F)cc1Cn1cc(CN)c2ccc(Cl)cc21
InChIInChI=1S/C17H16ClFN2/c1-11-2-4-15(19)6-12(11)9-21-10-13(8-20)16-5-3-14(18)7-17(16)21/h2-7,10H,8-9,20H2,1H3
InChIKeyXBIVUALLHIMYKR-UHFFFAOYSA-N
XLogP4.25
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanol
CID 105372625
[6-chloro-1-(2-ethylsulfanylethyl)indol-3-yl]methanamine
CID 113473972
5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylindole
CID 142538843
2-[1-[(5-fluoro-2-methylphenyl)methyl]indol-4-yl]ethanamine
CID 105375151
6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol
CID 107705897
2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 102620112
(6-chloro-1-propan-2-ylindol-3-yl)methanamine
CID 117122224
2-[[3-(aminomethyl)indol-1-yl]methyl]-4-fluorobenzonitrile
CID 107906645
[1-(cyclobutylmethyl)-6-fluoroindol-3-yl]methanamine
CID 105491323
2-[6-chloro-1-[(1-methyltriazol-4-yl)methyl]indol-3-yl]ethanamine
CID 107053865
[6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]methanamine
CID 107913109
2-(6-fluoro-1-propylindol-3-yl)ethanamine
CID 54594691

Frequently Asked Questions

What is the IUPAC name of [6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanamine?
The IUPAC name of [6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanamine (CID 105372683) is [6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanamine.
What is the SMILES notation for [6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanamine?
The canonical SMILES for [6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanamine is Cc1ccc(F)cc1Cn1cc(CN)c2ccc(Cl)cc21.
What is the InChIKey of [6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanamine?
The InChIKey is XBIVUALLHIMYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2/c1-11-2-4-15(19)6-12(11)9-21-10-13(8-20)16-5-3-14(18)7-17(16)21/h2-7,10H,8-9,20H2,1H3.
What are the key properties of [6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanamine?
[6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanamine has a molecular weight of 302.78 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanamine is sourced from PubChem (CID 105372683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).