4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride

C9H15ClN2O — CID 68602874

IUPAC4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
SMILESCOCCNc1ccc(N)cc1.Cl
InChIInChI=1S/C9H14N2O.ClH/c1-12-7-6-11-9-4-2-8(10)3-5-9;/h2-5,11H,6-7,10H2,1H3;1H
InChIKeyQRKMASJZGGENKJ-UHFFFAOYSA-N
MW202.69 g/mol
LogP1.75
Rot. Bonds4

About 4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride

4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride (PubChem CID 68602874) has the molecular formula C9H15ClN2O and a molecular weight of 202.69 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
PubChem CID68602874
Molecular FormulaC9H15ClN2O
Molecular Weight202.69 g/mol
Exact Mass202.09
IUPAC Name4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
SMILESCOCCNc1ccc(N)cc1.Cl
InChIInChI=1S/C9H14N2O.ClH/c1-12-7-6-11-9-4-2-8(10)3-5-9;/h2-5,11H,6-7,10H2,1H3;1H
InChIKeyQRKMASJZGGENKJ-UHFFFAOYSA-N
XLogP1.75
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-methoxyethyl)benzene-1,4-diamine;sulfuric acid
CID 71375043
1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine
CID 62911609
4-N-(3-amino-2-methoxypropyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 142398734
N-(2-methoxyethyl)-4-[4-[4-(2-methoxyethylamino)phenyl]-2,3,5,6-tetramethylphenyl]aniline
CID 142154386
2-methoxyethyl 4-(2-methoxyethylamino)benzoate
CID 66962973
2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
CID 19807713
4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 23104459
4-(2-methoxyethylamino)benzenesulfonohydrazide
CID 174874042
2-[2-[2-[2-(4-aminoanilino)ethoxy]ethoxy]ethoxy]ethanol
CID 150016700
1-bromo-2-methoxyethane;tert-butyl N-[2-(4-aminophenyl)ethyl]carbamate;tert-butyl N-[2-[4-(2-methoxyethylamino)phenyl]ethyl]carbamate
CID 159155996
2-(4-aminoanilino)ethyl-trimethylazanium;iodide;hydrochloride
CID 22155037
3,4-difluoro-N-(2-methoxyethyl)aniline
CID 28579883

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride?
The IUPAC name of 4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride (CID 68602874) is 4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride.
What is the SMILES notation for 4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride?
The canonical SMILES for 4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride is COCCNc1ccc(N)cc1.Cl.
What is the InChIKey of 4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride?
The InChIKey is QRKMASJZGGENKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.ClH/c1-12-7-6-11-9-4-2-8(10)3-5-9;/h2-5,11H,6-7,10H2,1H3;1H.
What are the key properties of 4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride?
4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride has a molecular weight of 202.69 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride is sourced from PubChem (CID 68602874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).