N'-benzyl-N'-(2-chlorophenyl)propane-1,3-diamine

C16H19ClN2 — CID 28770789

IUPACN'-benzyl-N'-(2-chlorophenyl)propane-1,3-diamine
SMILESNCCCN(Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H19ClN2/c17-15-9-4-5-10-16(15)19(12-6-11-18)13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13,18H2
InChIKeyBEQUESLICJCYIK-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.70
Rot. Bonds6

About N'-benzyl-N'-(2-chlorophenyl)propane-1,3-diamine

N'-benzyl-N'-(2-chlorophenyl)propane-1,3-diamine (PubChem CID 28770789) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is N'-benzyl-N'-(2-chlorophenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(2-chlorophenyl)propane-1,3-diamine
PubChem CID28770789
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC NameN'-benzyl-N'-(2-chlorophenyl)propane-1,3-diamine
SMILESNCCCN(Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H19ClN2/c17-15-9-4-5-10-16(15)19(12-6-11-18)13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13,18H2
InChIKeyBEQUESLICJCYIK-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2-chlorophenyl)-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 28771686
4-[3-aminopropyl(benzyl)amino]-5-chloro-1H-pyridazin-6-one
CID 107368526
4-[3-aminopropyl(benzyl)amino]naphthalene-1-carbonitrile
CID 114088701
N'-benzyl-N'-(5-chloro-3-fluoro-2-pyridinyl)propane-1,3-diamine
CID 107368165
2-[3-aminopropyl(benzyl)amino]-5-fluorobenzonitrile
CID 107368100
N'-acridin-1-yl-N'-benzylpentane-1,5-diamine
CID 174887657
N'-benzyl-N'-(5-fluoropyrimidin-2-yl)propane-1,3-diamine
CID 107368571
N'-benzyl-N'-(3-fluoro-2-pyridinyl)propane-1,3-diamine
CID 107368121
N'-benzyl-N'-(5-methoxypyrimidin-2-yl)propane-1,3-diamine
CID 107368222
5-[3-aminopropyl(benzyl)amino]-4-bromo-2-methylpyridazin-3-one
CID 107368438
2-chloro-N,N-dihexylaniline
CID 139723528
N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
CID 107367851

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(2-chlorophenyl)propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-(2-chlorophenyl)propane-1,3-diamine (CID 28770789) is N'-benzyl-N'-(2-chlorophenyl)propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-(2-chlorophenyl)propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-(2-chlorophenyl)propane-1,3-diamine is NCCCN(Cc1ccccc1)c1ccccc1Cl.
What is the InChIKey of N'-benzyl-N'-(2-chlorophenyl)propane-1,3-diamine?
The InChIKey is BEQUESLICJCYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c17-15-9-4-5-10-16(15)19(12-6-11-18)13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13,18H2.
What are the key properties of N'-benzyl-N'-(2-chlorophenyl)propane-1,3-diamine?
N'-benzyl-N'-(2-chlorophenyl)propane-1,3-diamine has a molecular weight of 274.80 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(2-chlorophenyl)propane-1,3-diamine is sourced from PubChem (CID 28770789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).