N-benzyl-1-(3,5-dichlorophenyl)ethane-1,2-diamine

C15H16Cl2N2 — CID 65383375

IUPACN-benzyl-1-(3,5-dichlorophenyl)ethane-1,2-diamine
SMILESNCC(NCc1ccccc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H16Cl2N2/c16-13-6-12(7-14(17)8-13)15(9-18)19-10-11-4-2-1-3-5-11/h1-8,15,19H,9-10,18H2
InChIKeyYRXYQDFBFPJWPJ-UHFFFAOYSA-N
MW295.21 g/mol
LogP3.78
Rot. Bonds5

About N-benzyl-1-(3,5-dichlorophenyl)ethane-1,2-diamine

N-benzyl-1-(3,5-dichlorophenyl)ethane-1,2-diamine (PubChem CID 65383375) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is N-benzyl-1-(3,5-dichlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-1-(3,5-dichlorophenyl)ethane-1,2-diamine
PubChem CID65383375
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC NameN-benzyl-1-(3,5-dichlorophenyl)ethane-1,2-diamine
SMILESNCC(NCc1ccccc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H16Cl2N2/c16-13-6-12(7-14(17)8-13)15(9-18)19-10-11-4-2-1-3-5-11/h1-8,15,19H,9-10,18H2
InChIKeyYRXYQDFBFPJWPJ-UHFFFAOYSA-N
XLogP3.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-(3,4-dimethylphenyl)ethane-1,2-diamine
CID 65385280
1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine
CID 65380315
N-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 60709706
2-(benzylamino)-2-(4-chlorophenyl)ethanol
CID 61046547
N-benzyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 60709682
1-(1,3-benzodioxol-5-yl)-N-benzylethane-1,2-diamine
CID 65383583
2-(3,5-dichlorophenyl)-2-phenylethanamine
CID 5170020
N-benzyl-1-(7-bromo-1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 65385061
N-benzyl-1-(3-chlorophenyl)but-3-en-1-amine
CID 102395596
N-benzyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 65385490
N-(cyclopropylmethyl)-1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 65385030
N-benzyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 65385277

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3,5-dichlorophenyl)ethane-1,2-diamine?
The IUPAC name of N-benzyl-1-(3,5-dichlorophenyl)ethane-1,2-diamine (CID 65383375) is N-benzyl-1-(3,5-dichlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-benzyl-1-(3,5-dichlorophenyl)ethane-1,2-diamine?
The canonical SMILES for N-benzyl-1-(3,5-dichlorophenyl)ethane-1,2-diamine is NCC(NCc1ccccc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-benzyl-1-(3,5-dichlorophenyl)ethane-1,2-diamine?
The InChIKey is YRXYQDFBFPJWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c16-13-6-12(7-14(17)8-13)15(9-18)19-10-11-4-2-1-3-5-11/h1-8,15,19H,9-10,18H2.
What are the key properties of N-benzyl-1-(3,5-dichlorophenyl)ethane-1,2-diamine?
N-benzyl-1-(3,5-dichlorophenyl)ethane-1,2-diamine has a molecular weight of 295.21 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3,5-dichlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 65383375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).