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

C17H17FN2 — CID 114346645

IUPAC[1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine
SMILESCc1cc(F)ccc1Cn1ccc2c(CN)cccc21
InChIInChI=1S/C17H17FN2/c1-12-9-15(18)6-5-14(12)11-20-8-7-16-13(10-19)3-2-4-17(16)20/h2-9H,10-11,19H2,1H3
InChIKeySFZPMTLIVPVCRV-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.60
Rot. Bonds3

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

[1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine (PubChem CID 114346645) has the molecular formula C17H17FN2 and a molecular weight of 268.34 g/mol. Its IUPAC name is [1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine
PubChem CID114346645
Molecular FormulaC17H17FN2
Molecular Weight268.34 g/mol
Exact Mass268.14
IUPAC Name[1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine
SMILESCc1cc(F)ccc1Cn1ccc2c(CN)cccc21
InChIInChI=1S/C17H17FN2/c1-12-9-15(18)6-5-14(12)11-20-8-7-16-13(10-19)3-2-4-17(16)20/h2-9H,10-11,19H2,1H3
InChIKeySFZPMTLIVPVCRV-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-fluoro-2-methylphenyl)methyl]indole-4-carbothioamide
CID 107919385
2-[1-[(5-fluoro-2-methylphenyl)methyl]indol-4-yl]ethanamine
CID 105375151
[1-[(4-fluoro-2-methylphenyl)methyl]indol-7-yl]methanamine
CID 114349349
[1-[(4-chloro-2-fluorophenyl)methyl]indol-4-yl]methanamine
CID 114851516
[1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine
CID 104792943
4-chloro-1-[(2,4-difluorophenyl)methyl]indole
CID 116623841
[1-[(3,4-difluorophenyl)methyl]indol-4-yl]methanamine
CID 82920553
4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 102620303
4-chloro-1-[(2,5-difluorophenyl)methyl]indole
CID 116623695
5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline
CID 83162859
[4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine
CID 43342104
[1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 106717979

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine?
The IUPAC name of [1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine (CID 114346645) is [1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine.
What is the SMILES notation for [1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine?
The canonical SMILES for [1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine is Cc1cc(F)ccc1Cn1ccc2c(CN)cccc21.
What is the InChIKey of [1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine?
The InChIKey is SFZPMTLIVPVCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c1-12-9-15(18)6-5-14(12)11-20-8-7-16-13(10-19)3-2-4-17(16)20/h2-9H,10-11,19H2,1H3.
What are the key properties of [1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine?
[1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]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 [1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine is sourced from PubChem (CID 114346645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).