N'-[1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;dihydrochloride

C12H21Cl3N2 — CID 170305796

IUPACN'-[1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;dihydrochloride
SMILESCCN(CCN)C(C)c1cccc(Cl)c1.Cl.Cl
InChIInChI=1S/C12H19ClN2.2ClH/c1-3-15(8-7-14)10(2)11-5-4-6-12(13)9-11;;/h4-6,9-10H,3,7-8,14H2,1-2H3;2*1H
InChIKeyAFVQHODOIUDRKD-UHFFFAOYSA-N
MW299.67 g/mol
LogP3.53
Rot. Bonds5

About N'-[1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;dihydrochloride

N'-[1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;dihydrochloride (PubChem CID 170305796) has the molecular formula C12H21Cl3N2 and a molecular weight of 299.67 g/mol. Its IUPAC name is N'-[1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-[1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;dihydrochloride
PubChem CID170305796
Molecular FormulaC12H21Cl3N2
Molecular Weight299.67 g/mol
Exact Mass298.08
IUPAC NameN'-[1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;dihydrochloride
SMILESCCN(CCN)C(C)c1cccc(Cl)c1.Cl.Cl
InChIInChI=1S/C12H19ClN2.2ClH/c1-3-15(8-7-14)10(2)11-5-4-6-12(13)9-11;;/h4-6,9-10H,3,7-8,14H2,1-2H3;2*1H
InChIKeyAFVQHODOIUDRKD-UHFFFAOYSA-N
XLogP3.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.67
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(1R)-1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;hydrochloride
CID 176718534
N'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine
CID 106511328
N'-ethyl-N'-[1-(4-propan-2-ylphenyl)ethyl]ethane-1,2-diamine
CID 114231042
N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine
CID 55098796
N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 81080490
1-(3-chlorophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine
CID 55019355
N'-[1-(3-chlorophenyl)ethyl]-N'-methylheptane-1,7-diamine
CID 62985951
tert-butyl N-[2-[1-(3-chlorophenyl)ethyl-ethylamino]ethyl]carbamate
CID 169245468
N'-ethyl-N'-[1-[3-(tetrazol-1-yl)phenyl]ethyl]ethane-1,2-diamine
CID 66657935
1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine
CID 103191368
(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171199565
1-N-[1-(3-chlorophenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490356

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-[1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;dihydrochloride (CID 170305796) is N'-[1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-[1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-[1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;dihydrochloride is CCN(CCN)C(C)c1cccc(Cl)c1.Cl.Cl.
What is the InChIKey of N'-[1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;dihydrochloride?
The InChIKey is AFVQHODOIUDRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2.2ClH/c1-3-15(8-7-14)10(2)11-5-4-6-12(13)9-11;;/h4-6,9-10H,3,7-8,14H2,1-2H3;2*1H.
What are the key properties of N'-[1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;dihydrochloride?
N'-[1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;dihydrochloride has a molecular weight of 299.67 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 170305796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).