6-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]-1-N,2-N-dimethylhexane-1,2-diamine

C21H28F2N2 — CID 67734751

IUPAC6-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]-1-N,2-N-dimethylhexane-1,2-diamine
SMILESCNCC(CCCCc1ccc(F)cc1)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C21H28F2N2/c1-24-15-21(25(2)16-18-9-13-20(23)14-10-18)6-4-3-5-17-7-11-19(22)12-8-17/h7-14,21,24H,3-6,15-16H2,1-2H3
InChIKeySOXILGFFAXMADK-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.40
Rot. Bonds10

About 6-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]-1-N,2-N-dimethylhexane-1,2-diamine

6-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]-1-N,2-N-dimethylhexane-1,2-diamine (PubChem CID 67734751) has the molecular formula C21H28F2N2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]-1-N,2-N-dimethylhexane-1,2-diamine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]-1-N,2-N-dimethylhexane-1,2-diamine
PubChem CID67734751
Molecular FormulaC21H28F2N2
Molecular Weight346.47 g/mol
Exact Mass346.22
IUPAC Name6-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]-1-N,2-N-dimethylhexane-1,2-diamine
SMILESCNCC(CCCCc1ccc(F)cc1)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C21H28F2N2/c1-24-15-21(25(2)16-18-9-13-20(23)14-10-18)6-4-3-5-17-7-11-19(22)12-8-17/h7-14,21,24H,3-6,15-16H2,1-2H3
InChIKeySOXILGFFAXMADK-UHFFFAOYSA-N
XLogP4.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
CID 62412873
2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 61413577
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 62569276
2-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 103225025
N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 61413181
2-N-benzyl-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 103225288
1-N-butan-2-yl-2-N-[(4-fluorophenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62569275
2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 112701198
2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine
CID 63522242
4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline
CID 115341840
(2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine
CID 42077676
ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine
CID 163403663

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]-1-N,2-N-dimethylhexane-1,2-diamine?
The IUPAC name of 6-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]-1-N,2-N-dimethylhexane-1,2-diamine (CID 67734751) is 6-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]-1-N,2-N-dimethylhexane-1,2-diamine.
What is the SMILES notation for 6-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]-1-N,2-N-dimethylhexane-1,2-diamine?
The canonical SMILES for 6-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]-1-N,2-N-dimethylhexane-1,2-diamine is CNCC(CCCCc1ccc(F)cc1)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]-1-N,2-N-dimethylhexane-1,2-diamine?
The InChIKey is SOXILGFFAXMADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F2N2/c1-24-15-21(25(2)16-18-9-13-20(23)14-10-18)6-4-3-5-17-7-11-19(22)12-8-17/h7-14,21,24H,3-6,15-16H2,1-2H3.
What are the key properties of 6-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]-1-N,2-N-dimethylhexane-1,2-diamine?
6-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]-1-N,2-N-dimethylhexane-1,2-diamine has a molecular weight of 346.47 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]-1-N,2-N-dimethylhexane-1,2-diamine is sourced from PubChem (CID 67734751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).