2-N-[(4-chlorophenyl)methyl]-1-N,1-N,3-N,3-N-tetraethylpropane-1,2,3-triamine

C18H32ClN3 — CID 51039757

IUPAC2-N-[(4-chlorophenyl)methyl]-1-N,1-N,3-N,3-N-tetraethylpropane-1,2,3-triamine
SMILESCCN(CC)CC(CN(CC)CC)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H32ClN3/c1-5-21(6-2)14-18(15-22(7-3)8-4)20-13-16-9-11-17(19)12-10-16/h9-12,18,20H,5-8,13-15H2,1-4H3
InChIKeyNPPAEWZPZKOLFR-UHFFFAOYSA-N
MW325.93 g/mol
LogP3.48
Rot. Bonds11

About 2-N-[(4-chlorophenyl)methyl]-1-N,1-N,3-N,3-N-tetraethylpropane-1,2,3-triamine

2-N-[(4-chlorophenyl)methyl]-1-N,1-N,3-N,3-N-tetraethylpropane-1,2,3-triamine (PubChem CID 51039757) has the molecular formula C18H32ClN3 and a molecular weight of 325.93 g/mol. Its IUPAC name is 2-N-[(4-chlorophenyl)methyl]-1-N,1-N,3-N,3-N-tetraethylpropane-1,2,3-triamine.

Molecular Properties

Compound Name2-N-[(4-chlorophenyl)methyl]-1-N,1-N,3-N,3-N-tetraethylpropane-1,2,3-triamine
PubChem CID51039757
Molecular FormulaC18H32ClN3
Molecular Weight325.93 g/mol
Exact Mass325.23
IUPAC Name2-N-[(4-chlorophenyl)methyl]-1-N,1-N,3-N,3-N-tetraethylpropane-1,2,3-triamine
SMILESCCN(CC)CC(CN(CC)CC)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H32ClN3/c1-5-21(6-2)14-18(15-22(7-3)8-4)20-13-16-9-11-17(19)12-10-16/h9-12,18,20H,5-8,13-15H2,1-4H3
InChIKeyNPPAEWZPZKOLFR-UHFFFAOYSA-N
XLogP3.48
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.93
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chlorophenyl)methyl]-1-N,1-N,3-N,3-N-tetraethylpropane-1,2,3-triamine?
The IUPAC name of 2-N-[(4-chlorophenyl)methyl]-1-N,1-N,3-N,3-N-tetraethylpropane-1,2,3-triamine (CID 51039757) is 2-N-[(4-chlorophenyl)methyl]-1-N,1-N,3-N,3-N-tetraethylpropane-1,2,3-triamine.
What is the SMILES notation for 2-N-[(4-chlorophenyl)methyl]-1-N,1-N,3-N,3-N-tetraethylpropane-1,2,3-triamine?
The canonical SMILES for 2-N-[(4-chlorophenyl)methyl]-1-N,1-N,3-N,3-N-tetraethylpropane-1,2,3-triamine is CCN(CC)CC(CN(CC)CC)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-N-[(4-chlorophenyl)methyl]-1-N,1-N,3-N,3-N-tetraethylpropane-1,2,3-triamine?
The InChIKey is NPPAEWZPZKOLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32ClN3/c1-5-21(6-2)14-18(15-22(7-3)8-4)20-13-16-9-11-17(19)12-10-16/h9-12,18,20H,5-8,13-15H2,1-4H3.
What are the key properties of 2-N-[(4-chlorophenyl)methyl]-1-N,1-N,3-N,3-N-tetraethylpropane-1,2,3-triamine?
2-N-[(4-chlorophenyl)methyl]-1-N,1-N,3-N,3-N-tetraethylpropane-1,2,3-triamine has a molecular weight of 325.93 g/mol, XLogP of 3.48, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chlorophenyl)methyl]-1-N,1-N,3-N,3-N-tetraethylpropane-1,2,3-triamine is sourced from PubChem (CID 51039757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).