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

C11H18ClN3 — CID 62922224

IUPACN'-(2-aminoethyl)-N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine
SMILESNCCN(CCN)Cc1ccccc1Cl
InChIInChI=1S/C11H18ClN3/c12-11-4-2-1-3-10(11)9-15(7-5-13)8-6-14/h1-4H,5-9,13-14H2
InChIKeyLLBNOGSORSILNG-UHFFFAOYSA-N
MW227.74 g/mol
LogP1.06
Rot. Bonds6

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

N'-(2-aminoethyl)-N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine (PubChem CID 62922224) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine
PubChem CID62922224
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC NameN'-(2-aminoethyl)-N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine
SMILESNCCN(CCN)Cc1ccccc1Cl
InChIInChI=1S/C11H18ClN3/c12-11-4-2-1-3-10(11)9-15(7-5-13)8-6-14/h1-4H,5-9,13-14H2
InChIKeyLLBNOGSORSILNG-UHFFFAOYSA-N
XLogP1.06
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(2-chlorophenyl)methyl]-N'-phenylethane-1,2-diamine
CID 28771174
N'-[(3-chloro-2-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 169245512
N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61417092
N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
CID 28771393
N'-[(3-chloro-2-fluorophenyl)methyl]-N'-[(1-fluorocyclopropyl)methyl]ethane-1,2-diamine
CID 169245500
2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol
CID 60689529
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
N,N-bis[(2-chlorophenyl)methyl]hydroxylamine
CID 54059227
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
N'-ethyl-N'-[(2-ethylphenyl)methyl]ethane-1,2-diamine
CID 103102282
2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid
CID 107440102
(2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 756928

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine (CID 62922224) is N'-(2-aminoethyl)-N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine is NCCN(CCN)Cc1ccccc1Cl.
What is the InChIKey of N'-(2-aminoethyl)-N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine?
The InChIKey is LLBNOGSORSILNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c12-11-4-2-1-3-10(11)9-15(7-5-13)8-6-14/h1-4H,5-9,13-14H2.
What are the key properties of N'-(2-aminoethyl)-N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine has a molecular weight of 227.74 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62922224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).