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

C13H16N2O — CID 61469783

IUPAC1-N-[2-(furan-2-yl)ethyl]-2-methylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1NCCc1ccco1
InChIInChI=1S/C13H16N2O/c1-10-9-11(14)4-5-13(10)15-7-6-12-3-2-8-16-12/h2-5,8-9,15H,6-7,14H2,1H3
InChIKeySWUWVADXXPQUHX-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.82
Rot. Bonds4

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

1-N-[2-(furan-2-yl)ethyl]-2-methylbenzene-1,4-diamine (PubChem CID 61469783) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-N-[2-(furan-2-yl)ethyl]-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[2-(furan-2-yl)ethyl]-2-methylbenzene-1,4-diamine
PubChem CID61469783
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-N-[2-(furan-2-yl)ethyl]-2-methylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1NCCc1ccco1
InChIInChI=1S/C13H16N2O/c1-10-9-11(14)4-5-13(10)15-7-6-12-3-2-8-16-12/h2-5,8-9,15H,6-7,14H2,1H3
InChIKeySWUWVADXXPQUHX-UHFFFAOYSA-N
XLogP2.82
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.82
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
5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 61128181
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
2-(4-amino-2-methylanilino)ethanol;hydrate
CID 70505046
3-chloro-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine
CID 104834271
4-N-(furan-2-ylmethyl)-2,5-dimethylbenzene-1,4-diamine
CID 91672017
5-N-[2-(furan-2-yl)ethyl]pyridine-3,5-diamine
CID 104533462
1-N-[2-(4-methoxyphenyl)ethyl]-2-methylbenzene-1,4-diamine
CID 43343022
3-(furan-2-ylmethylsulfanyl)-4-methylaniline
CID 62588700
8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine
CID 61469423
N-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526601

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(furan-2-yl)ethyl]-2-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-[2-(furan-2-yl)ethyl]-2-methylbenzene-1,4-diamine (CID 61469783) is 1-N-[2-(furan-2-yl)ethyl]-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[2-(furan-2-yl)ethyl]-2-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[2-(furan-2-yl)ethyl]-2-methylbenzene-1,4-diamine is Cc1cc(N)ccc1NCCc1ccco1.
What is the InChIKey of 1-N-[2-(furan-2-yl)ethyl]-2-methylbenzene-1,4-diamine?
The InChIKey is SWUWVADXXPQUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-9-11(14)4-5-13(10)15-7-6-12-3-2-8-16-12/h2-5,8-9,15H,6-7,14H2,1H3.
What are the key properties of 1-N-[2-(furan-2-yl)ethyl]-2-methylbenzene-1,4-diamine?
1-N-[2-(furan-2-yl)ethyl]-2-methylbenzene-1,4-diamine has a molecular weight of 216.28 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(furan-2-yl)ethyl]-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 61469783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).