2-chloro-4-N-[2-(furan-2-yl)ethyl]-5-methylbenzene-1,4-diamine

C13H15ClN2O — CID 113334246

IUPAC2-chloro-4-N-[2-(furan-2-yl)ethyl]-5-methylbenzene-1,4-diamine
SMILESCc1cc(N)c(Cl)cc1NCCc1ccco1
InChIInChI=1S/C13H15ClN2O/c1-9-7-12(15)11(14)8-13(9)16-5-4-10-3-2-6-17-10/h2-3,6-8,16H,4-5,15H2,1H3
InChIKeyGLXDWECBPWSINU-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.48
Rot. Bonds4

About 2-chloro-4-N-[2-(furan-2-yl)ethyl]-5-methylbenzene-1,4-diamine

2-chloro-4-N-[2-(furan-2-yl)ethyl]-5-methylbenzene-1,4-diamine (PubChem CID 113334246) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-chloro-4-N-[2-(furan-2-yl)ethyl]-5-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-[2-(furan-2-yl)ethyl]-5-methylbenzene-1,4-diamine
PubChem CID113334246
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-chloro-4-N-[2-(furan-2-yl)ethyl]-5-methylbenzene-1,4-diamine
SMILESCc1cc(N)c(Cl)cc1NCCc1ccco1
InChIInChI=1S/C13H15ClN2O/c1-9-7-12(15)11(14)8-13(9)16-5-4-10-3-2-6-17-10/h2-3,6-8,16H,4-5,15H2,1H3
InChIKeyGLXDWECBPWSINU-UHFFFAOYSA-N
XLogP3.48
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(furan-2-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 61469783
3-chloro-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine
CID 104834271
2-chloro-4-N-[2-(2-methoxyphenyl)ethyl]-5-methylbenzene-1,4-diamine
CID 106259814
4-N-(furan-2-ylmethyl)-2,5-dimethylbenzene-1,4-diamine
CID 91672017
2-chloro-5-methyl-4-N-(3-methylbutyl)benzene-1,4-diamine
CID 115554438
4-bromo-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine
CID 61469654
sodium 4-chloro-2-[2-(furan-2-yl)ethylamino]-5-sulfamoylbenzenesulfonate
CID 23683943
2-chloro-5-methyl-4-N-octylbenzene-1,4-diamine
CID 115566164
2-chloro-5-methyl-4-N-(3-phenylbutyl)benzene-1,4-diamine
CID 115554911
2-chloro-4-N,5-dimethylbenzene-1,4-diamine
CID 79006794
3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 102756901
2-chloro-5-methyl-4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine
CID 104758729

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-[2-(furan-2-yl)ethyl]-5-methylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-4-N-[2-(furan-2-yl)ethyl]-5-methylbenzene-1,4-diamine (CID 113334246) is 2-chloro-4-N-[2-(furan-2-yl)ethyl]-5-methylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-4-N-[2-(furan-2-yl)ethyl]-5-methylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-4-N-[2-(furan-2-yl)ethyl]-5-methylbenzene-1,4-diamine is Cc1cc(N)c(Cl)cc1NCCc1ccco1.
What is the InChIKey of 2-chloro-4-N-[2-(furan-2-yl)ethyl]-5-methylbenzene-1,4-diamine?
The InChIKey is GLXDWECBPWSINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-9-7-12(15)11(14)8-13(9)16-5-4-10-3-2-6-17-10/h2-3,6-8,16H,4-5,15H2,1H3.
What are the key properties of 2-chloro-4-N-[2-(furan-2-yl)ethyl]-5-methylbenzene-1,4-diamine?
2-chloro-4-N-[2-(furan-2-yl)ethyl]-5-methylbenzene-1,4-diamine has a molecular weight of 250.73 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-[2-(furan-2-yl)ethyl]-5-methylbenzene-1,4-diamine is sourced from PubChem (CID 113334246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).