2-chloro-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,4-diamine

C13H15ClN2O — CID 61476589

IUPAC2-chloro-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,4-diamine
SMILESCc1ccc(C(C)Nc2ccc(N)cc2Cl)o1
InChIInChI=1S/C13H15ClN2O/c1-8-3-6-13(17-8)9(2)16-12-5-4-10(15)7-11(12)14/h3-7,9,16H,15H2,1-2H3
InChIKeyGDMAGJANICBWPA-UHFFFAOYSA-N
MW250.73 g/mol
LogP4.00
Rot. Bonds3

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

2-chloro-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,4-diamine (PubChem CID 61476589) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-chloro-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,4-diamine
PubChem CID61476589
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-chloro-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,4-diamine
SMILESCc1ccc(C(C)Nc2ccc(N)cc2Cl)o1
InChIInChI=1S/C13H15ClN2O/c1-8-3-6-13(17-8)9(2)16-12-5-4-10(15)7-11(12)14/h3-7,9,16H,15H2,1-2H3
InChIKeyGDMAGJANICBWPA-UHFFFAOYSA-N
XLogP4.00
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 54.00
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

2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43194719
5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide
CID 103286871
4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61125291
2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 81263735
2-bromo-5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 81271203
2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43196557
2-chloro-1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine
CID 55151089
3,5,6-trichloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine
CID 102750656
2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43124775
4-fluoro-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 54968451
6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 112724390
6-bromo-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine
CID 114050661

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,4-diamine (CID 61476589) is 2-chloro-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,4-diamine is Cc1ccc(C(C)Nc2ccc(N)cc2Cl)o1.
What is the InChIKey of 2-chloro-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,4-diamine?
The InChIKey is GDMAGJANICBWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-8-3-6-13(17-8)9(2)16-12-5-4-10(15)7-11(12)14/h3-7,9,16H,15H2,1-2H3.
What are the key properties of 2-chloro-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,4-diamine?
2-chloro-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,4-diamine has a molecular weight of 250.73 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 61476589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).