4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine

C15H18N2O — CID 55003816

IUPAC4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(N(Cc2ccco2)C2CC2)ccc1N
InChIInChI=1S/C15H18N2O/c1-11-9-13(6-7-15(11)16)17(12-4-5-12)10-14-3-2-8-18-14/h2-3,6-9,12H,4-5,10,16H2,1H3
InChIKeyQEBINZLOZFJYKH-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.34
Rot. Bonds4

About 4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine

4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine (PubChem CID 55003816) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine
PubChem CID55003816
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(N(Cc2ccco2)C2CC2)ccc1N
InChIInChI=1S/C15H18N2O/c1-11-9-13(6-7-15(11)16)17(12-4-5-12)10-14-3-2-8-18-14/h2-3,6-9,12H,4-5,10,16H2,1H3
InChIKeyQEBINZLOZFJYKH-UHFFFAOYSA-N
XLogP3.34
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.34
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-[cyclopropyl(furan-2-ylmethyl)amino]-2-methylbenzaldehyde
CID 55038382
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine
CID 66281069
[4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol
CID 62122235
2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline
CID 107926140
2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 106890198
4-[cyclopropyl(furan-2-ylmethyl)amino]benzaldehyde
CID 55003500
5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylpyridin-2-amine
CID 115773896
6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine
CID 79827765
5-N-cyclopropyl-3-N-ethyl-5-N-(furan-2-ylmethyl)pyridine-3,5-diamine
CID 104533818
4-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-2-carbothioamide
CID 62927141
2-chloro-4-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid
CID 62946093
N-cyclopropyl-3-fluoro-N-(furan-2-ylmethyl)-5-nitroaniline
CID 80753176

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine (CID 55003816) is 4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine is Cc1cc(N(Cc2ccco2)C2CC2)ccc1N.
What is the InChIKey of 4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine?
The InChIKey is QEBINZLOZFJYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-9-13(6-7-15(11)16)17(12-4-5-12)10-14-3-2-8-18-14/h2-3,6-9,12H,4-5,10,16H2,1H3.
What are the key properties of 4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine?
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine has a molecular weight of 242.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 55003816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).