N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine

C15H21FN2 — CID 82498821

IUPACN-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCc1[nH]c2cc(F)ccc2c1CCNC(C)(C)C
InChIInChI=1S/C15H21FN2/c1-10-12(7-8-17-15(2,3)4)13-6-5-11(16)9-14(13)18-10/h5-6,9,17-18H,7-8H2,1-4H3
InChIKeyCCQTVLNAXHKHFG-UHFFFAOYSA-N
MW248.34 g/mol
LogP3.55
Rot. Bonds3

About N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine

N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 82498821) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine
PubChem CID82498821
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC NameN-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCc1[nH]c2cc(F)ccc2c1CCNC(C)(C)C
InChIInChI=1S/C15H21FN2/c1-10-12(7-8-17-15(2,3)4)13-6-5-11(16)9-14(13)18-10/h5-6,9,17-18H,7-8H2,1-4H3
InChIKeyCCQTVLNAXHKHFG-UHFFFAOYSA-N
XLogP3.55
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(6-fluoro-2-methyl-1H-indol-3-yl)propanenitrile
CID 82491568
4-(6-fluoro-2-methyl-1H-indol-3-yl)butan-2-one
CID 82493826
N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
CID 82494090
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82496402
N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methoxy-1-(oxan-4-yl)ethanamine
CID 167950354
3-(6-fluoro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
CID 84627861
2-(6-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496918
cis-(1R,3S)-3-amino-N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 166276508
1-[[3-(dimethylamino)cyclobutyl]methyl]-3-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]urea
CID 166249715
2-[3-[(dimethylamino)methyl]-6-fluoro-1H-indol-2-yl]propan-2-ol
CID 25058304
1-[6-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]-N-methylmethanamine
CID 84632135
1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-phenylthiourea
CID 43952983

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine (CID 82498821) is N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine is Cc1[nH]c2cc(F)ccc2c1CCNC(C)(C)C.
What is the InChIKey of N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is CCQTVLNAXHKHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-10-12(7-8-17-15(2,3)4)13-6-5-11(16)9-14(13)18-10/h5-6,9,17-18H,7-8H2,1-4H3.
What are the key properties of N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 248.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82498821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).