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

C9H14Cl2N2O — CID 19807713

IUPAC2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
SMILESCOCCNc1ccc(N)cc1Cl.Cl
InChIInChI=1S/C9H13ClN2O.ClH/c1-13-5-4-12-9-3-2-7(11)6-8(9)10;/h2-3,6,12H,4-5,11H2,1H3;1H
InChIKeyYHHMDXBUCITINA-UHFFFAOYSA-N
MW237.13 g/mol
LogP2.40
Rot. Bonds4

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

2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride (PubChem CID 19807713) has the molecular formula C9H14Cl2N2O and a molecular weight of 237.13 g/mol. Its IUPAC name is 2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
PubChem CID19807713
Molecular FormulaC9H14Cl2N2O
Molecular Weight237.13 g/mol
Exact Mass236.05
IUPAC Name2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
SMILESCOCCNc1ccc(N)cc1Cl.Cl
InChIInChI=1S/C9H13ClN2O.ClH/c1-13-5-4-12-9-3-2-7(11)6-8(9)10;/h2-3,6,12H,4-5,11H2,1H3;1H
InChIKeyYHHMDXBUCITINA-UHFFFAOYSA-N
XLogP2.40
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-N-propylbenzene-1,4-diamine
CID 28902196
1-N-butyl-2-chlorobenzene-1,4-diamine
CID 20565180
5-amino-2-(2-methoxyethylamino)benzoic acid
CID 60988686
2-[2-(4-amino-2-chloroanilino)ethoxy]acetamide
CID 106234293
3-chloro-4-(2-methoxyethylamino)benzenecarboximidamide
CID 63089058
2-chloro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine
CID 106259764
4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
CID 68602874
2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline
CID 104726849
2,5-dichloro-N-(2-methoxyethyl)aniline
CID 28568177
2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
CID 43115381
1-N-(6-methoxyhexyl)-2-methylbenzene-1,4-diamine
CID 58596116
N'-(2,4-dichlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54806172

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride?
The IUPAC name of 2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride (CID 19807713) is 2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride.
What is the SMILES notation for 2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride?
The canonical SMILES for 2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride is COCCNc1ccc(N)cc1Cl.Cl.
What is the InChIKey of 2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride?
The InChIKey is YHHMDXBUCITINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O.ClH/c1-13-5-4-12-9-3-2-7(11)6-8(9)10;/h2-3,6,12H,4-5,11H2,1H3;1H.
What are the key properties of 2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride?
2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride has a molecular weight of 237.13 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride is sourced from PubChem (CID 19807713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).