1-[(4-fluoro-2-methylphenyl)methyl]indol-7-amine

C16H15FN2 — CID 114935840

IUPAC1-[(4-fluoro-2-methylphenyl)methyl]indol-7-amine
SMILESCc1cc(F)ccc1Cn1ccc2cccc(N)c21
InChIInChI=1S/C16H15FN2/c1-11-9-14(17)6-5-13(11)10-19-8-7-12-3-2-4-15(18)16(12)19/h2-9H,10,18H2,1H3
InChIKeyDDRKPPQJEJJAMA-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.72
Rot. Bonds2

About 1-[(4-fluoro-2-methylphenyl)methyl]indol-7-amine

1-[(4-fluoro-2-methylphenyl)methyl]indol-7-amine (PubChem CID 114935840) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-[(4-fluoro-2-methylphenyl)methyl]indol-7-amine.

Molecular Properties

Compound Name1-[(4-fluoro-2-methylphenyl)methyl]indol-7-amine
PubChem CID114935840
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name1-[(4-fluoro-2-methylphenyl)methyl]indol-7-amine
SMILESCc1cc(F)ccc1Cn1ccc2cccc(N)c21
InChIInChI=1S/C16H15FN2/c1-11-9-14(17)6-5-13(11)10-19-8-7-12-3-2-4-15(18)16(12)19/h2-9H,10,18H2,1H3
InChIKeyDDRKPPQJEJJAMA-UHFFFAOYSA-N
XLogP3.72
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-[(4-fluoro-2-methylphenyl)methyl]indol-7-yl]methanamine
CID 114349349
1-[(4-methylphenyl)methyl]indol-7-amine
CID 114935703
3-[(7-aminoindol-1-yl)methyl]-4-fluorobenzonitrile
CID 114935754
[1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine
CID 114346645
1-[(6-methyl-2-pyridinyl)methyl]indol-7-amine
CID 114935790
1-[(5-fluoro-2-methylphenyl)methyl]-7-nitroindole
CID 105375371
7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 103475124
1-[(2-bromo-4-fluorophenyl)methyl]-7-chloroindole
CID 103474913
1-[(4-fluoro-2-methylphenyl)methyl]indole-4-carbothioamide
CID 107919385
4-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 62135589
1-[(2,4-difluorophenyl)methyl]indole-7-carbaldehyde
CID 102910173
2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-7-yl]ethanamine
CID 102917161

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]indol-7-amine?
The IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]indol-7-amine (CID 114935840) is 1-[(4-fluoro-2-methylphenyl)methyl]indol-7-amine.
What is the SMILES notation for 1-[(4-fluoro-2-methylphenyl)methyl]indol-7-amine?
The canonical SMILES for 1-[(4-fluoro-2-methylphenyl)methyl]indol-7-amine is Cc1cc(F)ccc1Cn1ccc2cccc(N)c21.
What is the InChIKey of 1-[(4-fluoro-2-methylphenyl)methyl]indol-7-amine?
The InChIKey is DDRKPPQJEJJAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-11-9-14(17)6-5-13(11)10-19-8-7-12-3-2-4-15(18)16(12)19/h2-9H,10,18H2,1H3.
What are the key properties of 1-[(4-fluoro-2-methylphenyl)methyl]indol-7-amine?
1-[(4-fluoro-2-methylphenyl)methyl]indol-7-amine has a molecular weight of 254.31 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-2-methylphenyl)methyl]indol-7-amine is sourced from PubChem (CID 114935840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).