[4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine

C17H17FN2 — CID 43342104

IUPAC[4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine
SMILESCc1cccc2c1ccn2Cc1cc(CN)ccc1F
InChIInChI=1S/C17H17FN2/c1-12-3-2-4-17-15(12)7-8-20(17)11-14-9-13(10-19)5-6-16(14)18/h2-9H,10-11,19H2,1H3
InChIKeyYTKCGDJXGONNHD-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.60
Rot. Bonds3

About [4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine

[4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine (PubChem CID 43342104) has the molecular formula C17H17FN2 and a molecular weight of 268.34 g/mol. Its IUPAC name is [4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine
PubChem CID43342104
Molecular FormulaC17H17FN2
Molecular Weight268.34 g/mol
Exact Mass268.14
IUPAC Name[4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine
SMILESCc1cccc2c1ccn2Cc1cc(CN)ccc1F
InChIInChI=1S/C17H17FN2/c1-12-3-2-4-17-15(12)7-8-20(17)11-14-9-13(10-19)5-6-16(14)18/h2-9H,10-11,19H2,1H3
InChIKeyYTKCGDJXGONNHD-UHFFFAOYSA-N
XLogP3.60
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chloro-3-fluorophenyl)methyl]-4-methylindole
CID 107887790
[4-fluoro-3-[(5-fluoroindol-1-yl)methyl]phenyl]methanamine
CID 63850276
[1-[(3,4-difluorophenyl)methyl]indol-4-yl]methanamine
CID 82920553
[1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine
CID 114346645
1-[(3,4-dichlorophenyl)methyl]-4-methylindole
CID 116620210
2-[1-[(3,4-difluorophenyl)methyl]indol-4-yl]ethanamine
CID 82926195
[1-[(4-chloro-2-fluorophenyl)methyl]indol-4-yl]methanamine
CID 114851516
2-[1-[(5-fluoro-2-methylphenyl)methyl]indol-4-yl]ethanamine
CID 105375151
4-chloro-1-[(2,5-difluorophenyl)methyl]indole
CID 116623695
1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole
CID 103050113
4-(4-methylindol-1-yl)butan-1-amine
CID 43163516
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-propylimidazol-2-one
CID 80579569

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine (CID 43342104) is [4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine is Cc1cccc2c1ccn2Cc1cc(CN)ccc1F.
What is the InChIKey of [4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine?
The InChIKey is YTKCGDJXGONNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c1-12-3-2-4-17-15(12)7-8-20(17)11-14-9-13(10-19)5-6-16(14)18/h2-9H,10-11,19H2,1H3.
What are the key properties of [4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine?
[4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine has a molecular weight of 268.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 43342104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).