N-[(2-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine

C13H21ClN2 — CID 4719878

IUPACN-[(2-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCc1ccccc1Cl
InChIInChI=1S/C13H21ClN2/c1-3-16(4-2)10-9-15-11-12-7-5-6-8-13(12)14/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyUMRRAWDIVCXZAB-UHFFFAOYSA-N
MW240.78 g/mol
LogP2.77
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine

N-[(2-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 4719878) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
PubChem CID4719878
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC NameN-[(2-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCc1ccccc1Cl
InChIInChI=1S/C13H21ClN2/c1-3-16(4-2)10-9-15-11-12-7-5-6-8-13(12)14/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyUMRRAWDIVCXZAB-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 114132479
N-[(2-aminophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 66385429
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 17216180
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17216179
N-[(3-chloro-2-fluorophenyl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 103761972
N',N'-diethyl-N-[[2-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine
CID 54861568
N',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride
CID 17294534
N-[(2-chloro-4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 28580041
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 4720063
N-[(2-chloro-6-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17294849
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 17215302
N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine
CID 16340

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine (CID 4719878) is N-[(2-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is UMRRAWDIVCXZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-3-16(4-2)10-9-15-11-12-7-5-6-8-13(12)14/h5-8,15H,3-4,9-11H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine?
N-[(2-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 240.78 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 4719878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).