4-N-(3-amino-2-methoxypropyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine

C13H23N3O2 — CID 142398734

IUPAC4-N-(3-amino-2-methoxypropyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
SMILESCOCCNc1ccc(NCC(CN)OC)cc1
InChIInChI=1S/C13H23N3O2/c1-17-8-7-15-11-3-5-12(6-4-11)16-10-13(9-14)18-2/h3-6,13,15-16H,7-10,14H2,1-2H3
InChIKeyHLJBPULGKCFDHU-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.13
Rot. Bonds9

About 4-N-(3-amino-2-methoxypropyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine

4-N-(3-amino-2-methoxypropyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine (PubChem CID 142398734) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-N-(3-amino-2-methoxypropyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-amino-2-methoxypropyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
PubChem CID142398734
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-N-(3-amino-2-methoxypropyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
SMILESCOCCNc1ccc(NCC(CN)OC)cc1
InChIInChI=1S/C13H23N3O2/c1-17-8-7-15-11-3-5-12(6-4-11)16-10-13(9-14)18-2/h3-6,13,15-16H,7-10,14H2,1-2H3
InChIKeyHLJBPULGKCFDHU-UHFFFAOYSA-N
XLogP1.13
TPSA68.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
CID 68602874
4-N-(2-methoxyethyl)benzene-1,4-diamine;sulfuric acid
CID 71375043
2-methoxyethyl 4-(2-methoxyethylamino)benzoate
CID 66962973
1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine
CID 62911609
1-methoxyethyl 4-(2-methoxyethylamino)benzoate
CID 66963212
6-(aminomethyl)-N-(2-methoxyethyl)pyridin-3-amine
CID 115487003
N-(2-methoxyethyl)-4-[4-[4-(2-methoxyethylamino)phenyl]-2,3,5,6-tetramethylphenyl]aniline
CID 142154386
4-(2-methoxyethylamino)benzenesulfonohydrazide
CID 174874042
4-(aminomethyl)-N-(2-methoxyethyl)-3-methylaniline
CID 57048374
3,4-difluoro-N-(2-methoxyethyl)aniline
CID 28579883
3-(aminomethyl)-N-(2,3-dimethoxypropyl)-5-fluoroaniline
CID 114099232
2-amino-4-(2-methoxyethylamino)benzenesulfonamide
CID 79467385

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-amino-2-methoxypropyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(3-amino-2-methoxypropyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine (CID 142398734) is 4-N-(3-amino-2-methoxypropyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(3-amino-2-methoxypropyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(3-amino-2-methoxypropyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine is COCCNc1ccc(NCC(CN)OC)cc1.
What is the InChIKey of 4-N-(3-amino-2-methoxypropyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine?
The InChIKey is HLJBPULGKCFDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-17-8-7-15-11-3-5-12(6-4-11)16-10-13(9-14)18-2/h3-6,13,15-16H,7-10,14H2,1-2H3.
What are the key properties of 4-N-(3-amino-2-methoxypropyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine?
4-N-(3-amino-2-methoxypropyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine has a molecular weight of 253.35 g/mol, XLogP of 1.13, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-amino-2-methoxypropyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine is sourced from PubChem (CID 142398734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).