N'-[(3-chlorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]propane-1,3-diamine

C23H25ClN2O — CID 23907951

IUPACN'-[(3-chlorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]propane-1,3-diamine
SMILESNCCCN(Cc1cccc(Cl)c1)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H25ClN2O/c24-21-9-4-7-19(15-21)17-26(14-6-13-25)18-20-8-5-12-23(16-20)27-22-10-2-1-3-11-22/h1-5,7-12,15-16H,6,13-14,17-18,25H2
InChIKeyUCIWOVATSGBTKL-UHFFFAOYSA-N
MW380.92 g/mol
LogP5.48
Rot. Bonds9

About N'-[(3-chlorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]propane-1,3-diamine

N'-[(3-chlorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]propane-1,3-diamine (PubChem CID 23907951) has the molecular formula C23H25ClN2O and a molecular weight of 380.92 g/mol. Its IUPAC name is N'-[(3-chlorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3-chlorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]propane-1,3-diamine
PubChem CID23907951
Molecular FormulaC23H25ClN2O
Molecular Weight380.92 g/mol
Exact Mass380.17
IUPAC NameN'-[(3-chlorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]propane-1,3-diamine
SMILESNCCCN(Cc1cccc(Cl)c1)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H25ClN2O/c24-21-9-4-7-19(15-21)17-26(14-6-13-25)18-20-8-5-12-23(16-20)27-22-10-2-1-3-11-22/h1-5,7-12,15-16H,6,13-14,17-18,25H2
InChIKeyUCIWOVATSGBTKL-UHFFFAOYSA-N
XLogP5.48
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.92
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(3-bromophenyl)methyl]-N'-[(3-chlorophenyl)methyl]propane-1,3-diamine
CID 23962023
N'-[(4-fluorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]ethane-1,2-diamine
CID 23959578
2-[3-(3-chlorophenoxy)phenyl]ethanamine
CID 63943128
5-(3-phenoxyphenyl)pentan-1-amine
CID 175525700
N'-benzyl-N'-[2-(3-chlorophenoxy)ethyl]ethane-1,2-diamine
CID 104859131
N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide
CID 3890451
2-(3-chlorophenyl)ethanamine;4-phenoxybenzaldehyde
CID 23291749
N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine
CID 107365236
2-bromo-N-(2-bromoethyl)-N-[(3-chlorophenyl)methyl]ethanamine
CID 46934127
2,2-dimethyl-N'-[(3-phenoxyphenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 23990548
N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 28770483
3-[(3-chlorophenyl)methyl-(3-methoxypropyl)amino]propanoic acid
CID 82327680

Frequently Asked Questions

What is the IUPAC name of N'-[(3-chlorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-[(3-chlorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]propane-1,3-diamine (CID 23907951) is N'-[(3-chlorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[(3-chlorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-[(3-chlorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]propane-1,3-diamine is NCCCN(Cc1cccc(Cl)c1)Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of N'-[(3-chlorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]propane-1,3-diamine?
The InChIKey is UCIWOVATSGBTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O/c24-21-9-4-7-19(15-21)17-26(14-6-13-25)18-20-8-5-12-23(16-20)27-22-10-2-1-3-11-22/h1-5,7-12,15-16H,6,13-14,17-18,25H2.
What are the key properties of N'-[(3-chlorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]propane-1,3-diamine?
N'-[(3-chlorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]propane-1,3-diamine has a molecular weight of 380.92 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-chlorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 23907951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).