N'-[2-(diethylamino)ethyl]-N'-ethyl-N-[(4-fluorophenyl)methyl]-1-phenylethane-1,2-diamine

C23H34FN3 — CID 58256144

IUPACN'-[2-(diethylamino)ethyl]-N'-ethyl-N-[(4-fluorophenyl)methyl]-1-phenylethane-1,2-diamine
SMILESCCN(CC)CCN(CC)CC(NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C23H34FN3/c1-4-26(5-2)16-17-27(6-3)19-23(21-10-8-7-9-11-21)25-18-20-12-14-22(24)15-13-20/h7-15,23,25H,4-6,16-19H2,1-3H3
InChIKeyCCPQSDIUUHZCIV-UHFFFAOYSA-N
MW371.54 g/mol
LogP4.32
Rot. Bonds12

About N'-[2-(diethylamino)ethyl]-N'-ethyl-N-[(4-fluorophenyl)methyl]-1-phenylethane-1,2-diamine

N'-[2-(diethylamino)ethyl]-N'-ethyl-N-[(4-fluorophenyl)methyl]-1-phenylethane-1,2-diamine (PubChem CID 58256144) has the molecular formula C23H34FN3 and a molecular weight of 371.54 g/mol. Its IUPAC name is N'-[2-(diethylamino)ethyl]-N'-ethyl-N-[(4-fluorophenyl)methyl]-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(diethylamino)ethyl]-N'-ethyl-N-[(4-fluorophenyl)methyl]-1-phenylethane-1,2-diamine
PubChem CID58256144
Molecular FormulaC23H34FN3
Molecular Weight371.54 g/mol
Exact Mass371.27
IUPAC NameN'-[2-(diethylamino)ethyl]-N'-ethyl-N-[(4-fluorophenyl)methyl]-1-phenylethane-1,2-diamine
SMILESCCN(CC)CCN(CC)CC(NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C23H34FN3/c1-4-26(5-2)16-17-27(6-3)19-23(21-10-8-7-9-11-21)25-18-20-12-14-22(24)15-13-20/h7-15,23,25H,4-6,16-19H2,1-3H3
InChIKeyCCPQSDIUUHZCIV-UHFFFAOYSA-N
XLogP4.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N',N'-triethyl-1-phenylethane-1,2-diamine
CID 60695169
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 63454016
N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine
CID 43194034
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 43433338
N',N'-diethyl-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294526
1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 43194840
2-(diethylamino)-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 56538273
3-(benzylamino)-3-(4-fluorophenyl)propanoic acid
CID 23067143
N-chloro-N',N'-diethyl-1-phenylpropane-1,3-diamine
CID 23557495
N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102992514
N',N'-diethyl-N-[[4-(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine
CID 143241921

Frequently Asked Questions

What is the IUPAC name of N'-[2-(diethylamino)ethyl]-N'-ethyl-N-[(4-fluorophenyl)methyl]-1-phenylethane-1,2-diamine?
The IUPAC name of N'-[2-(diethylamino)ethyl]-N'-ethyl-N-[(4-fluorophenyl)methyl]-1-phenylethane-1,2-diamine (CID 58256144) is N'-[2-(diethylamino)ethyl]-N'-ethyl-N-[(4-fluorophenyl)methyl]-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(diethylamino)ethyl]-N'-ethyl-N-[(4-fluorophenyl)methyl]-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-[2-(diethylamino)ethyl]-N'-ethyl-N-[(4-fluorophenyl)methyl]-1-phenylethane-1,2-diamine is CCN(CC)CCN(CC)CC(NCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N'-[2-(diethylamino)ethyl]-N'-ethyl-N-[(4-fluorophenyl)methyl]-1-phenylethane-1,2-diamine?
The InChIKey is CCPQSDIUUHZCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3/c1-4-26(5-2)16-17-27(6-3)19-23(21-10-8-7-9-11-21)25-18-20-12-14-22(24)15-13-20/h7-15,23,25H,4-6,16-19H2,1-3H3.
What are the key properties of N'-[2-(diethylamino)ethyl]-N'-ethyl-N-[(4-fluorophenyl)methyl]-1-phenylethane-1,2-diamine?
N'-[2-(diethylamino)ethyl]-N'-ethyl-N-[(4-fluorophenyl)methyl]-1-phenylethane-1,2-diamine has a molecular weight of 371.54 g/mol, XLogP of 4.32, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylamino)ethyl]-N'-ethyl-N-[(4-fluorophenyl)methyl]-1-phenylethane-1,2-diamine is sourced from PubChem (CID 58256144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).