N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine

C21H29Cl2N3O2 — CID 10971964

IUPACN-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCN(CCNC(c1cc(Cl)ccc1N)c1ccccc1Cl)CCOC
InChIInChI=1S/C21H29Cl2N3O2/c1-27-13-11-26(12-14-28-2)10-9-25-21(17-5-3-4-6-19(17)23)18-15-16(22)7-8-20(18)24/h3-8,15,21,25H,9-14,24H2,1-2H3
InChIKeyBJCXJZPFXQTAFP-UHFFFAOYSA-N
MW426.39 g/mol
LogP3.85
Rot. Bonds12

About N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine

N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 10971964) has the molecular formula C21H29Cl2N3O2 and a molecular weight of 426.39 g/mol. Its IUPAC name is N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
PubChem CID10971964
Molecular FormulaC21H29Cl2N3O2
Molecular Weight426.39 g/mol
Exact Mass425.16
IUPAC NameN-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCN(CCNC(c1cc(Cl)ccc1N)c1ccccc1Cl)CCOC
InChIInChI=1S/C21H29Cl2N3O2/c1-27-13-11-26(12-14-28-2)10-9-25-21(17-5-3-4-6-19(17)23)18-15-16(22)7-8-20(18)24/h3-8,15,21,25H,9-14,24H2,1-2H3
InChIKeyBJCXJZPFXQTAFP-UHFFFAOYSA-N
XLogP3.85
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine
CID 62642834
2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanyl-N-(3-methoxypropyl)acetamide
CID 23397199
1-(2,5-dichlorophenyl)-3-methoxypropan-1-amine
CID 62790378
1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine
CID 62791896
N-[(2-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62542963
1-(2-aminophenyl)-2-[bis(2-methoxyethyl)amino]ethanol
CID 62264582
N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-2-bromo-N-methylacetamide;ethane
CID 142893163
N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710
ethyl 2-[[(2-amino-5-chlorophenyl)-phenylmethyl]amino]acetate
CID 13174365
2-[bis(2-methoxyethyl)amino]-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 78807153
N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 43562132
2-[[(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetic acid
CID 3844549

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine (CID 10971964) is N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine is COCCN(CCNC(c1cc(Cl)ccc1N)c1ccccc1Cl)CCOC.
What is the InChIKey of N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is BJCXJZPFXQTAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29Cl2N3O2/c1-27-13-11-26(12-14-28-2)10-9-25-21(17-5-3-4-6-19(17)23)18-15-16(22)7-8-20(18)24/h3-8,15,21,25H,9-14,24H2,1-2H3.
What are the key properties of N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine?
N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 426.39 g/mol, XLogP of 3.85, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 10971964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).