2-chloro-4-N,5-dimethyl-4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine

C13H21ClN2O — CID 113334402

IUPAC2-chloro-4-N,5-dimethyl-4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine
SMILESCc1cc(N)c(Cl)cc1N(C)CCOC(C)C
InChIInChI=1S/C13H21ClN2O/c1-9(2)17-6-5-16(4)13-8-11(14)12(15)7-10(13)3/h7-9H,5-6,15H2,1-4H3
InChIKeyHQVZMRDXHQKVAA-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.09
Rot. Bonds5

About 2-chloro-4-N,5-dimethyl-4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine

2-chloro-4-N,5-dimethyl-4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine (PubChem CID 113334402) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-chloro-4-N,5-dimethyl-4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N,5-dimethyl-4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine
PubChem CID113334402
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name2-chloro-4-N,5-dimethyl-4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine
SMILESCc1cc(N)c(Cl)cc1N(C)CCOC(C)C
InChIInChI=1S/C13H21ClN2O/c1-9(2)17-6-5-16(4)13-8-11(14)12(15)7-10(13)3/h7-9H,5-6,15H2,1-4H3
InChIKeyHQVZMRDXHQKVAA-UHFFFAOYSA-N
XLogP3.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
CID 114089060
2-chloro-4-N-(2-methoxyethyl)-5-methyl-4-N-propan-2-ylbenzene-1,4-diamine
CID 82949127
1-N,4-dimethyl-1-N-(2-propan-2-yloxyethyl)benzene-1,3-diamine
CID 81059168
4-(aminomethyl)-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81052956
4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
CID 81058264
2-chloro-5-methyl-4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine
CID 104758729
2-(4-amino-5-chloro-N,2-dimethylanilino)acetamide
CID 115554562
2-(4-amino-5-chloro-N,2-dimethylanilino)-N-propan-2-ylacetamide
CID 115554773
3-chloro-4-[methyl(2-propan-2-yloxyethyl)amino]benzenecarbothioamide
CID 81055954
2-chloro-4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylbenzene-1,4-diamine
CID 115554670
2-chloro-5-methyl-4-N,4-N-dipropylbenzene-1,4-diamine
CID 115554375
4-amino-3-[methyl(2-propan-2-yloxyethyl)amino]benzonitrile
CID 104712165

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N,5-dimethyl-4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine?
The IUPAC name of 2-chloro-4-N,5-dimethyl-4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine (CID 113334402) is 2-chloro-4-N,5-dimethyl-4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-4-N,5-dimethyl-4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine?
The canonical SMILES for 2-chloro-4-N,5-dimethyl-4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine is Cc1cc(N)c(Cl)cc1N(C)CCOC(C)C.
What is the InChIKey of 2-chloro-4-N,5-dimethyl-4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine?
The InChIKey is HQVZMRDXHQKVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-9(2)17-6-5-16(4)13-8-11(14)12(15)7-10(13)3/h7-9H,5-6,15H2,1-4H3.
What are the key properties of 2-chloro-4-N,5-dimethyl-4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine?
2-chloro-4-N,5-dimethyl-4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine has a molecular weight of 256.78 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N,5-dimethyl-4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine is sourced from PubChem (CID 113334402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).