1-[4-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylmethanamine

C17H17FN2 — CID 46312766

IUPAC1-[4-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1c[nH]c2cccc(-c3ccc(F)cc3)c12
InChIInChI=1S/C17H17FN2/c1-20(2)11-13-10-19-16-5-3-4-15(17(13)16)12-6-8-14(18)9-7-12/h3-10,19H,11H2,1-2H3
InChIKeySYDCPBIUXDKVOG-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.04
Rot. Bonds3

About 1-[4-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylmethanamine

1-[4-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylmethanamine (PubChem CID 46312766) has the molecular formula C17H17FN2 and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylmethanamine
PubChem CID46312766
Molecular FormulaC17H17FN2
Molecular Weight268.34 g/mol
Exact Mass268.14
IUPAC Name1-[4-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1c[nH]c2cccc(-c3ccc(F)cc3)c12
InChIInChI=1S/C17H17FN2/c1-20(2)11-13-10-19-16-5-3-4-15(17(13)16)12-6-8-14(18)9-7-12/h3-10,19H,11H2,1-2H3
InChIKeySYDCPBIUXDKVOG-UHFFFAOYSA-N
XLogP4.04
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-1-[4-(2,3,4,5,6-pentachlorophenyl)-1H-indol-3-yl]methanamine
CID 118845898
1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine
CID 174403598
2-[2-(4-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol
CID 169001095
methane;1,1,2,2-tetradeuterio-2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
CID 163558839
1,3-bis(4-fluorophenyl)-2-methylbenzene
CID 58586629
2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 54378350
1-(4-fluorophenyl)-8-methylnaphthalene
CID 57338261
3-[2-[4-[2-(4-fluorophenyl)ethyl]phenyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 139784180
4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole
CID 117171394
N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine
CID 131852240
[3-[1,2,2-trideuterio-2-(dimethylamino)ethyl]-1H-indol-4-yl] acetate
CID 164780401
[3-[2-deuterio-2-(dimethylamino)ethyl]-1H-indol-4-yl] acetate
CID 164700571

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylmethanamine (CID 46312766) is 1-[4-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylmethanamine is CN(C)Cc1c[nH]c2cccc(-c3ccc(F)cc3)c12.
What is the InChIKey of 1-[4-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is SYDCPBIUXDKVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c1-20(2)11-13-10-19-16-5-3-4-15(17(13)16)12-6-8-14(18)9-7-12/h3-10,19H,11H2,1-2H3.
What are the key properties of 1-[4-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylmethanamine?
1-[4-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 268.34 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 46312766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).