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

C17H20BrClN2 — CID 23962023

IUPACN'-[(3-bromophenyl)methyl]-N'-[(3-chlorophenyl)methyl]propane-1,3-diamine
SMILESNCCCN(Cc1cccc(Cl)c1)Cc1cccc(Br)c1
InChIInChI=1S/C17H20BrClN2/c18-16-6-1-4-14(10-16)12-21(9-3-8-20)13-15-5-2-7-17(19)11-15/h1-2,4-7,10-11H,3,8-9,12-13,20H2
InChIKeyNLNBYVQXHLRGTB-UHFFFAOYSA-N
MW367.72 g/mol
LogP4.45
Rot. Bonds7

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

N'-[(3-bromophenyl)methyl]-N'-[(3-chlorophenyl)methyl]propane-1,3-diamine (PubChem CID 23962023) has the molecular formula C17H20BrClN2 and a molecular weight of 367.72 g/mol. Its IUPAC name is N'-[(3-bromophenyl)methyl]-N'-[(3-chlorophenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3-bromophenyl)methyl]-N'-[(3-chlorophenyl)methyl]propane-1,3-diamine
PubChem CID23962023
Molecular FormulaC17H20BrClN2
Molecular Weight367.72 g/mol
Exact Mass366.05
IUPAC NameN'-[(3-bromophenyl)methyl]-N'-[(3-chlorophenyl)methyl]propane-1,3-diamine
SMILESNCCCN(Cc1cccc(Cl)c1)Cc1cccc(Br)c1
InChIInChI=1S/C17H20BrClN2/c18-16-6-1-4-14(10-16)12-21(9-3-8-20)13-15-5-2-7-17(19)11-15/h1-2,4-7,10-11H,3,8-9,12-13,20H2
InChIKeyNLNBYVQXHLRGTB-UHFFFAOYSA-N
XLogP4.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.72
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(3-chlorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]propane-1,3-diamine
CID 23907951
N'-[(3-bromophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61415516
N'-benzyl-N'-[(5-bromo-2-fluorophenyl)methyl]propane-1,3-diamine
CID 107365337
2-bromo-N-(2-bromoethyl)-N-[(3-chlorophenyl)methyl]ethanamine
CID 46934127
N'-[(3-bromophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 61415517
N-benzyl-N-[(3-bromophenyl)methyl]-2-chloroethanamine
CID 55182943
N-[(3-bromophenyl)methyl]-N-undecylundecan-1-amine
CID 6426450
N'-[[3-(aminomethyl)phenyl]methyl]-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 143170343
2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 63081281
N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine
CID 60684600
1-bromo-3-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]benzene
CID 66041720
N'-[(3-bromo-4-methoxyphenyl)methyl]-N'-[(4-chlorophenyl)methyl]propane-1,3-diamine
CID 23995882

Frequently Asked Questions

What is the IUPAC name of N'-[(3-bromophenyl)methyl]-N'-[(3-chlorophenyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-[(3-bromophenyl)methyl]-N'-[(3-chlorophenyl)methyl]propane-1,3-diamine (CID 23962023) is N'-[(3-bromophenyl)methyl]-N'-[(3-chlorophenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[(3-bromophenyl)methyl]-N'-[(3-chlorophenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-[(3-bromophenyl)methyl]-N'-[(3-chlorophenyl)methyl]propane-1,3-diamine is NCCCN(Cc1cccc(Cl)c1)Cc1cccc(Br)c1.
What is the InChIKey of N'-[(3-bromophenyl)methyl]-N'-[(3-chlorophenyl)methyl]propane-1,3-diamine?
The InChIKey is NLNBYVQXHLRGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrClN2/c18-16-6-1-4-14(10-16)12-21(9-3-8-20)13-15-5-2-7-17(19)11-15/h1-2,4-7,10-11H,3,8-9,12-13,20H2.
What are the key properties of N'-[(3-bromophenyl)methyl]-N'-[(3-chlorophenyl)methyl]propane-1,3-diamine?
N'-[(3-bromophenyl)methyl]-N'-[(3-chlorophenyl)methyl]propane-1,3-diamine has a molecular weight of 367.72 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-bromophenyl)methyl]-N'-[(3-chlorophenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 23962023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).