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

C19H25FN2 — CID 143241921

IUPACN',N'-diethyl-N-[[4-(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H25FN2/c1-3-22(4-2)14-13-21-15-16-5-7-17(8-6-16)18-9-11-19(20)12-10-18/h5-12,21H,3-4,13-15H2,1-2H3
InChIKeyOTKPSNUEWGKYHF-UHFFFAOYSA-N
MW300.42 g/mol
LogP3.92
Rot. Bonds8

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

N',N'-diethyl-N-[[4-(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine (PubChem CID 143241921) has the molecular formula C19H25FN2 and a molecular weight of 300.42 g/mol. Its IUPAC name is N',N'-diethyl-N-[[4-(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[[4-(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine
PubChem CID143241921
Molecular FormulaC19H25FN2
Molecular Weight300.42 g/mol
Exact Mass300.20
IUPAC NameN',N'-diethyl-N-[[4-(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H25FN2/c1-3-22(4-2)14-13-21-15-16-5-7-17(8-6-16)18-9-11-19(20)12-10-18/h5-12,21H,3-4,13-15H2,1-2H3
InChIKeyOTKPSNUEWGKYHF-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 53.92
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',N'-diethyl-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294526
N-[(4-fluorophenyl)methyl]-N'-[2-[(4-fluorophenyl)methylamino]ethyl]-N'-[[4-[[(4-fluorophenyl)methylamino]methyl]phenyl]methyl]ethane-1,2-diamine
CID 59751017
N',N'-diethyl-N-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
CID 143241854
2-[2-[[4-(4-chlorophenyl)phenyl]methylamino]ethyl-ethylamino]ethanol
CID 23395727
N',N'-diethyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethane-1,2-diamine
CID 4720658
N',N'-diethyl-N-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17331877
N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine
CID 62995128
N',N'-diethyl-N-[[4-(4-piperidin-1-ylsulfanylphenyl)phenyl]methyl]ethane-1,2-diamine
CID 142134549
N',N'-diethyl-N-[(5-fluoro-2-pyridinyl)methyl]ethane-1,2-diamine
CID 104638488
4-[[2-(diethylamino)ethylamino]methyl]benzamide
CID 28580136
N-[(2-chloro-4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 28580041
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 4719880

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[[4-(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[[4-(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine (CID 143241921) is N',N'-diethyl-N-[[4-(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[[4-(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[[4-(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine is CCN(CC)CCNCc1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of N',N'-diethyl-N-[[4-(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine?
The InChIKey is OTKPSNUEWGKYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2/c1-3-22(4-2)14-13-21-15-16-5-7-17(8-6-16)18-9-11-19(20)12-10-18/h5-12,21H,3-4,13-15H2,1-2H3.
What are the key properties of N',N'-diethyl-N-[[4-(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine?
N',N'-diethyl-N-[[4-(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine has a molecular weight of 300.42 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[[4-(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 143241921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).