N-[2-[7-(3-fluorophenyl)indol-1-yl]ethyl]-N-methylcyclohexanamine

C23H27FN2 — CID 91149141

IUPACN-[2-[7-(3-fluorophenyl)indol-1-yl]ethyl]-N-methylcyclohexanamine
SMILESCN(CCn1ccc2cccc(-c3cccc(F)c3)c21)C1CCCCC1
InChIInChI=1S/C23H27FN2/c1-25(21-10-3-2-4-11-21)15-16-26-14-13-18-7-6-12-22(23(18)26)19-8-5-9-20(24)17-19/h5-9,12-14,17,21H,2-4,10-11,15-16H2,1H3
InChIKeyMMYFCDXMZJDIDI-UHFFFAOYSA-N
MW350.48 g/mol
LogP5.71
Rot. Bonds5

About N-[2-[7-(3-fluorophenyl)indol-1-yl]ethyl]-N-methylcyclohexanamine

N-[2-[7-(3-fluorophenyl)indol-1-yl]ethyl]-N-methylcyclohexanamine (PubChem CID 91149141) has the molecular formula C23H27FN2 and a molecular weight of 350.48 g/mol. Its IUPAC name is N-[2-[7-(3-fluorophenyl)indol-1-yl]ethyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[2-[7-(3-fluorophenyl)indol-1-yl]ethyl]-N-methylcyclohexanamine
PubChem CID91149141
Molecular FormulaC23H27FN2
Molecular Weight350.48 g/mol
Exact Mass350.22
IUPAC NameN-[2-[7-(3-fluorophenyl)indol-1-yl]ethyl]-N-methylcyclohexanamine
SMILESCN(CCn1ccc2cccc(-c3cccc(F)c3)c21)C1CCCCC1
InChIInChI=1S/C23H27FN2/c1-25(21-10-3-2-4-11-21)15-16-26-14-13-18-7-6-12-22(23(18)26)19-8-5-9-20(24)17-19/h5-9,12-14,17,21H,2-4,10-11,15-16H2,1H3
InChIKeyMMYFCDXMZJDIDI-UHFFFAOYSA-N
XLogP5.71
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.48
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclohexylmethylamino)ethyl]-2-[7-(3-fluorophenyl)indol-1-yl]acetamide
CID 68710826
N'-cyclohexyl-N-[(3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 60733037
1-[2-[cyclohexyl(methyl)amino]ethyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111877735
2-[1-[2-[cyclopentyl(methyl)amino]ethyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 63315961
N-cyclohexyl-3-indol-1-yl-N-methylpropanamide
CID 84557875
1-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone
CID 43227335
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
1-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylimidazol-2-amine
CID 106573086
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(6-phenylindol-1-yl)acetamide
CID 25049921
N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide
CID 110444026
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(3-fluorophenyl)-1H-indol-3-yl]acetamide
CID 69405813
N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methylcyclohexanamine
CID 54806175

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(3-fluorophenyl)indol-1-yl]ethyl]-N-methylcyclohexanamine?
The IUPAC name of N-[2-[7-(3-fluorophenyl)indol-1-yl]ethyl]-N-methylcyclohexanamine (CID 91149141) is N-[2-[7-(3-fluorophenyl)indol-1-yl]ethyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[2-[7-(3-fluorophenyl)indol-1-yl]ethyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[2-[7-(3-fluorophenyl)indol-1-yl]ethyl]-N-methylcyclohexanamine is CN(CCn1ccc2cccc(-c3cccc(F)c3)c21)C1CCCCC1.
What is the InChIKey of N-[2-[7-(3-fluorophenyl)indol-1-yl]ethyl]-N-methylcyclohexanamine?
The InChIKey is MMYFCDXMZJDIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2/c1-25(21-10-3-2-4-11-21)15-16-26-14-13-18-7-6-12-22(23(18)26)19-8-5-9-20(24)17-19/h5-9,12-14,17,21H,2-4,10-11,15-16H2,1H3.
What are the key properties of N-[2-[7-(3-fluorophenyl)indol-1-yl]ethyl]-N-methylcyclohexanamine?
N-[2-[7-(3-fluorophenyl)indol-1-yl]ethyl]-N-methylcyclohexanamine has a molecular weight of 350.48 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(3-fluorophenyl)indol-1-yl]ethyl]-N-methylcyclohexanamine is sourced from PubChem (CID 91149141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).