2-[1-[(5-fluoro-2-methylphenyl)methyl]indol-4-yl]ethanamine

C18H19FN2 — CID 105375151

IUPAC2-[1-[(5-fluoro-2-methylphenyl)methyl]indol-4-yl]ethanamine
SMILESCc1ccc(F)cc1Cn1ccc2c(CCN)cccc21
InChIInChI=1S/C18H19FN2/c1-13-5-6-16(19)11-15(13)12-21-10-8-17-14(7-9-20)3-2-4-18(17)21/h2-6,8,10-11H,7,9,12,20H2,1H3
InChIKeyYVMFCKBRRYCAPX-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.64
Rot. Bonds4

About 2-[1-[(5-fluoro-2-methylphenyl)methyl]indol-4-yl]ethanamine

2-[1-[(5-fluoro-2-methylphenyl)methyl]indol-4-yl]ethanamine (PubChem CID 105375151) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[1-[(5-fluoro-2-methylphenyl)methyl]indol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(5-fluoro-2-methylphenyl)methyl]indol-4-yl]ethanamine
PubChem CID105375151
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name2-[1-[(5-fluoro-2-methylphenyl)methyl]indol-4-yl]ethanamine
SMILESCc1ccc(F)cc1Cn1ccc2c(CCN)cccc21
InChIInChI=1S/C18H19FN2/c1-13-5-6-16(19)11-15(13)12-21-10-8-17-14(7-9-20)3-2-4-18(17)21/h2-6,8,10-11H,7,9,12,20H2,1H3
InChIKeyYVMFCKBRRYCAPX-UHFFFAOYSA-N
XLogP3.64
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

[1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine
CID 114346645
1-[(5-fluoro-2-methylphenyl)methyl]indole-4-carbaldehyde
CID 105372599
2-[1-[(3,4-difluorophenyl)methyl]indol-4-yl]ethanamine
CID 82926195
2-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]ethanamine
CID 102878789
4-chloro-1-[(2,5-difluorophenyl)methyl]indole
CID 116623695
[1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine
CID 104792943
1-[(4-fluoro-2-methylphenyl)methyl]indole-4-carbothioamide
CID 107919385
2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 102620112
[4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine
CID 43342104
5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline
CID 83162859
4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 102620303
[1-[(4-chloro-2-fluorophenyl)methyl]indol-4-yl]methanamine
CID 114851516

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-fluoro-2-methylphenyl)methyl]indol-4-yl]ethanamine?
The IUPAC name of 2-[1-[(5-fluoro-2-methylphenyl)methyl]indol-4-yl]ethanamine (CID 105375151) is 2-[1-[(5-fluoro-2-methylphenyl)methyl]indol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(5-fluoro-2-methylphenyl)methyl]indol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(5-fluoro-2-methylphenyl)methyl]indol-4-yl]ethanamine is Cc1ccc(F)cc1Cn1ccc2c(CCN)cccc21.
What is the InChIKey of 2-[1-[(5-fluoro-2-methylphenyl)methyl]indol-4-yl]ethanamine?
The InChIKey is YVMFCKBRRYCAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c1-13-5-6-16(19)11-15(13)12-21-10-8-17-14(7-9-20)3-2-4-18(17)21/h2-6,8,10-11H,7,9,12,20H2,1H3.
What are the key properties of 2-[1-[(5-fluoro-2-methylphenyl)methyl]indol-4-yl]ethanamine?
2-[1-[(5-fluoro-2-methylphenyl)methyl]indol-4-yl]ethanamine has a molecular weight of 282.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-fluoro-2-methylphenyl)methyl]indol-4-yl]ethanamine is sourced from PubChem (CID 105375151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).