1-(3-fluorophenyl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)cyclohexan-1-amine

C23H27FN2 — CID 66782954

IUPAC1-(3-fluorophenyl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)cyclohexan-1-amine
SMILESCc1c(C2CCC(c3cccc(F)c3)(N(C)C)CC2)[nH]c2ccccc12
InChIInChI=1S/C23H27FN2/c1-16-20-9-4-5-10-21(20)25-22(16)17-11-13-23(14-12-17,26(2)3)18-7-6-8-19(24)15-18/h4-10,15,17,25H,11-14H2,1-3H3
InChIKeyJVYUQOYXXIIEAS-UHFFFAOYSA-N
MW350.48 g/mol
LogP5.73
Rot. Bonds3

About 1-(3-fluorophenyl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)cyclohexan-1-amine

1-(3-fluorophenyl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)cyclohexan-1-amine (PubChem CID 66782954) has the molecular formula C23H27FN2 and a molecular weight of 350.48 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)cyclohexan-1-amine
PubChem CID66782954
Molecular FormulaC23H27FN2
Molecular Weight350.48 g/mol
Exact Mass350.22
IUPAC Name1-(3-fluorophenyl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)cyclohexan-1-amine
SMILESCc1c(C2CCC(c3cccc(F)c3)(N(C)C)CC2)[nH]c2ccccc12
InChIInChI=1S/C23H27FN2/c1-16-20-9-4-5-10-21(20)25-22(16)17-11-13-23(14-12-17,26(2)3)18-7-6-8-19(24)15-18/h4-10,15,17,25H,11-14H2,1-3H3
InChIKeyJVYUQOYXXIIEAS-UHFFFAOYSA-N
XLogP5.73
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.48
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)cyclohexan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)cyclohexan-1-amine (CID 66782954) is 1-(3-fluorophenyl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)cyclohexan-1-amine is Cc1c(C2CCC(c3cccc(F)c3)(N(C)C)CC2)[nH]c2ccccc12.
What is the InChIKey of 1-(3-fluorophenyl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)cyclohexan-1-amine?
The InChIKey is JVYUQOYXXIIEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2/c1-16-20-9-4-5-10-21(20)25-22(16)17-11-13-23(14-12-17,26(2)3)18-7-6-8-19(24)15-18/h4-10,15,17,25H,11-14H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)cyclohexan-1-amine?
1-(3-fluorophenyl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)cyclohexan-1-amine has a molecular weight of 350.48 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 66782954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).