N'-[[3,5-bis(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine

C21H20F2N2 — CID 145359054

IUPACN'-[[3,5-bis(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine
SMILESNCCNCc1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C21H20F2N2/c22-20-5-1-16(2-6-20)18-11-15(14-25-10-9-24)12-19(13-18)17-3-7-21(23)8-4-17/h1-8,11-13,25H,9-10,14,24H2
InChIKeyMYLQUAQTFASRSO-UHFFFAOYSA-N
MW338.40 g/mol
LogP4.35
Rot. Bonds6

About N'-[[3,5-bis(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine

N'-[[3,5-bis(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine (PubChem CID 145359054) has the molecular formula C21H20F2N2 and a molecular weight of 338.40 g/mol. Its IUPAC name is N'-[[3,5-bis(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[3,5-bis(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine
PubChem CID145359054
Molecular FormulaC21H20F2N2
Molecular Weight338.40 g/mol
Exact Mass338.16
IUPAC NameN'-[[3,5-bis(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine
SMILESNCCNCc1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C21H20F2N2/c22-20-5-1-16(2-6-20)18-11-15(14-25-10-9-24)12-19(13-18)17-3-7-21(23)8-4-17/h1-8,11-13,25H,9-10,14,24H2
InChIKeyMYLQUAQTFASRSO-UHFFFAOYSA-N
XLogP4.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 54.35
H-Bond Donors ≤ 52
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]butane-1,4-diamine
CID 11140144
N'-[3-[[3-[[3-(3-aminopropylamino)propylamino]methyl]-5-phenylphenyl]methylamino]propyl]propane-1,3-diamine;hydrochloride
CID 131737047
1-ethyl-3,5-bis(4-fluorophenyl)benzene
CID 130381360
1-[[3,5-bis(4-fluorophenyl)phenyl]methyl]-3,5-bis(4-fluorophenyl)benzene;ethane
CID 143925315
N',N'-diethyl-N-[[4-(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine
CID 143241921
N'-[(4-aminophenyl)methyl]ethane-1,2-diamine
CID 13286601
N'-benzylethane-1,2-diamine;dihydrochloride
CID 161258578
(4S)-5-[3,5-bis(4-fluorophenyl)phenoxy]pentane-1,4-diamine;(4S)-5-[3,5-bis(4-methoxyphenyl)phenoxy]pentane-1,4-diamine;(4S)-5-[3,5-bis[4-(trifluoromethyl)phenyl]phenoxy]pentane-1,4-diamine;(2S)-1-N-[(3,5-diphenylphenyl)methyl]pentane-1,2,5-triamine
CID 161097381
N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 10106170
N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine
CID 10273675
2-[(4-fluorophenyl)methylamino]ethanethiol
CID 83960596
N-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine
CID 106844450

Frequently Asked Questions

What is the IUPAC name of N'-[[3,5-bis(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-[[3,5-bis(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine (CID 145359054) is N'-[[3,5-bis(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[[3,5-bis(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[[3,5-bis(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine is NCCNCc1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1.
What is the InChIKey of N'-[[3,5-bis(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine?
The InChIKey is MYLQUAQTFASRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2/c22-20-5-1-16(2-6-20)18-11-15(14-25-10-9-24)12-19(13-18)17-3-7-21(23)8-4-17/h1-8,11-13,25H,9-10,14,24H2.
What are the key properties of N'-[[3,5-bis(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine?
N'-[[3,5-bis(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine has a molecular weight of 338.40 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3,5-bis(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 145359054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).