N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine

C10H14Cl2N2 — CID 129414495

IUPACN'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine
SMILESC[C@H](NCCN)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H14Cl2N2/c1-7(14-6-5-13)8-3-2-4-9(11)10(8)12/h2-4,7,14H,5-6,13H2,1H3/t7-/m0/s1
InChIKeyGXADVKKFZVKWOC-ZETCQYMHSA-N
MW233.14 g/mol
LogP2.60
Rot. Bonds4

About N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine

N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine (PubChem CID 129414495) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine
PubChem CID129414495
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC NameN'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine
SMILESC[C@H](NCCN)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H14Cl2N2/c1-7(14-6-5-13)8-3-2-4-9(11)10(8)12/h2-4,7,14H,5-6,13H2,1H3/t7-/m0/s1
InChIKeyGXADVKKFZVKWOC-ZETCQYMHSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,3-dichlorophenyl)ethyl]-4-methylpentan-1-amine
CID 114079561
N'-[1-(2-chlorophenyl)ethyl]butane-1,4-diamine
CID 60895776
N-[1-(2,3-dichlorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 113259673
N-[1-(2,3-dichlorophenyl)ethyl]-5-methoxypentan-1-amine
CID 103779812
ethyl 3-[1-(2,3-dichlorophenyl)ethylamino]propanoate
CID 103914729
N-[1-(2,3-dichlorophenyl)ethyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 103779145
3-[1-(2,3-dichlorophenyl)ethylamino]-N,N-dimethylpropanamide
CID 103780154
3-[2-[1-(2,3-dichlorophenyl)ethylamino]ethylsulfanyl]propan-1-ol
CID 103781904
1-(2,3-dichlorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 114183185
3-[1-(2,3-dichlorophenyl)ethylamino]-N-propylpropanamide
CID 103778315
N-[1-(2,3-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 103776344
1-(2,3-dichlorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 107094366

Frequently Asked Questions

What is the IUPAC name of N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine (CID 129414495) is N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine is C[C@H](NCCN)c1cccc(Cl)c1Cl.
What is the InChIKey of N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine?
The InChIKey is GXADVKKFZVKWOC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14Cl2N2/c1-7(14-6-5-13)8-3-2-4-9(11)10(8)12/h2-4,7,14H,5-6,13H2,1H3/t7-/m0/s1.
What are the key properties of N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine?
N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine has a molecular weight of 233.14 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 129414495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).