6,8-difluoro-N-[(4-hexylphenyl)methyl]-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine

C26H32F2N2 — CID 23470200

IUPAC6,8-difluoro-N-[(4-hexylphenyl)methyl]-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCCCCCCc1ccc(CN(C)C2CCc3[nH]c4c(F)cc(F)cc4c3C2)cc1
InChIInChI=1S/C26H32F2N2/c1-3-4-5-6-7-18-8-10-19(11-9-18)17-30(2)21-12-13-25-22(16-21)23-14-20(27)15-24(28)26(23)29-25/h8-11,14-15,21,29H,3-7,12-13,16-17H2,1-2H3
InChIKeyQYERZHHVAWVHGG-UHFFFAOYSA-N
MW410.55 g/mol
LogP6.56
Rot. Bonds8

About 6,8-difluoro-N-[(4-hexylphenyl)methyl]-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine

6,8-difluoro-N-[(4-hexylphenyl)methyl]-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine (PubChem CID 23470200) has the molecular formula C26H32F2N2 and a molecular weight of 410.55 g/mol. Its IUPAC name is 6,8-difluoro-N-[(4-hexylphenyl)methyl]-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine.

Molecular Properties

Compound Name6,8-difluoro-N-[(4-hexylphenyl)methyl]-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
PubChem CID23470200
Molecular FormulaC26H32F2N2
Molecular Weight410.55 g/mol
Exact Mass410.25
IUPAC Name6,8-difluoro-N-[(4-hexylphenyl)methyl]-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCCCCCCc1ccc(CN(C)C2CCc3[nH]c4c(F)cc(F)cc4c3C2)cc1
InChIInChI=1S/C26H32F2N2/c1-3-4-5-6-7-18-8-10-19(11-9-18)17-30(2)21-12-13-25-22(16-21)23-14-20(27)15-24(28)26(23)29-25/h8-11,14-15,21,29H,3-7,12-13,16-17H2,1-2H3
InChIKeyQYERZHHVAWVHGG-UHFFFAOYSA-N
XLogP6.56
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.55
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6,8-difluoro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 23470307
N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylbicyclo[1.1.0]butane-1-carboxamide
CID 166432349
(3S)-7,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 129404110
2-ethyl-6,8-difluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 65335800
6-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-ol
CID 65332564
lithium 1-(4-hexylphenyl)-N,N-dimethylmethanamine
CID 162333767
1,3-difluoro-5-(4-hexylphenyl)benzene
CID 130468309
6,8-difluoro-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole
CID 65335745
4-heptyl-N,N-dimethylaniline
CID 20777180
2,4-difluoro-1-(4-octylphenyl)benzene
CID 56633566
6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 65332860
5,6-difluoro-2-[2-(4-heptylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 139849152

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-N-[(4-hexylphenyl)methyl]-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The IUPAC name of 6,8-difluoro-N-[(4-hexylphenyl)methyl]-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine (CID 23470200) is 6,8-difluoro-N-[(4-hexylphenyl)methyl]-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine.
What is the SMILES notation for 6,8-difluoro-N-[(4-hexylphenyl)methyl]-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The canonical SMILES for 6,8-difluoro-N-[(4-hexylphenyl)methyl]-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine is CCCCCCc1ccc(CN(C)C2CCc3[nH]c4c(F)cc(F)cc4c3C2)cc1.
What is the InChIKey of 6,8-difluoro-N-[(4-hexylphenyl)methyl]-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The InChIKey is QYERZHHVAWVHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N2/c1-3-4-5-6-7-18-8-10-19(11-9-18)17-30(2)21-12-13-25-22(16-21)23-14-20(27)15-24(28)26(23)29-25/h8-11,14-15,21,29H,3-7,12-13,16-17H2,1-2H3.
What are the key properties of 6,8-difluoro-N-[(4-hexylphenyl)methyl]-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
6,8-difluoro-N-[(4-hexylphenyl)methyl]-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine has a molecular weight of 410.55 g/mol, XLogP of 6.56, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-N-[(4-hexylphenyl)methyl]-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine is sourced from PubChem (CID 23470200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).