3-chloro-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine

C12H13ClN2O — CID 104834271

IUPAC3-chloro-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine
SMILESNc1c(Cl)cccc1NCCc1ccco1
InChIInChI=1S/C12H13ClN2O/c13-10-4-1-5-11(12(10)14)15-7-6-9-3-2-8-16-9/h1-5,8,15H,6-7,14H2
InChIKeyWUNPOWQJOYTTSQ-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.17
Rot. Bonds4

About 3-chloro-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine

3-chloro-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine (PubChem CID 104834271) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 3-chloro-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine
PubChem CID104834271
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name3-chloro-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine
SMILESNc1c(Cl)cccc1NCCc1ccco1
InChIInChI=1S/C12H13ClN2O/c13-10-4-1-5-11(12(10)14)15-7-6-9-3-2-8-16-9/h1-5,8,15H,6-7,14H2
InChIKeyWUNPOWQJOYTTSQ-UHFFFAOYSA-N
XLogP3.17
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.17
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-4-N-[2-(furan-2-yl)ethyl]-5-methylbenzene-1,4-diamine
CID 113334246
4-bromo-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine
CID 61469654
3-N-[2-(furan-2-yl)ethyl]benzene-1,3-diamine
CID 61469743
1-N-[2-(furan-2-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 61469783
4-(2-amino-3-chloroanilino)butan-1-ol
CID 106840311
sodium 4-chloro-2-[2-(furan-2-yl)ethylamino]-5-sulfamoylbenzenesulfonate
CID 23683943
3-chloro-1-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzene-1,2-diamine
CID 104833960
3-chloro-1-N-hexylbenzene-1,2-diamine
CID 104834589
N'-(3-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54807793
3-chloro-1-N-(3-methylsulfanylpropyl)benzene-1,2-diamine
CID 104834578
8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine
CID 61469423
3-amino-2-[2-(furan-2-yl)ethylamino]benzamide
CID 112578443

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine (CID 104834271) is 3-chloro-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine is Nc1c(Cl)cccc1NCCc1ccco1.
What is the InChIKey of 3-chloro-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine?
The InChIKey is WUNPOWQJOYTTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-10-4-1-5-11(12(10)14)15-7-6-9-3-2-8-16-9/h1-5,8,15H,6-7,14H2.
What are the key properties of 3-chloro-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine?
3-chloro-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine has a molecular weight of 236.70 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 104834271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).