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

C15H20N2O — CID 43677033

IUPAC1-N-[1-(furan-2-yl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
SMILESCc1cc(N(C)C)ccc1NC(C)c1ccco1
InChIInChI=1S/C15H20N2O/c1-11-10-13(17(3)4)7-8-14(11)16-12(2)15-6-5-9-18-15/h5-10,12,16H,1-4H3
InChIKeyRKVJJODLIKQCPQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.83
Rot. Bonds4

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

1-N-[1-(furan-2-yl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine (PubChem CID 43677033) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-N-[1-(furan-2-yl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[1-(furan-2-yl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
PubChem CID43677033
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-N-[1-(furan-2-yl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
SMILESCc1cc(N(C)C)ccc1NC(C)c1ccco1
InChIInChI=1S/C15H20N2O/c1-11-10-13(17(3)4)7-8-14(11)16-12(2)15-6-5-9-18-15/h5-10,12,16H,1-4H3
InChIKeyRKVJJODLIKQCPQ-UHFFFAOYSA-N
XLogP3.83
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726592
1-N-(1-aminopropan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 103388013
3-[1-[4-(dimethylamino)-2-methylanilino]ethyl]benzonitrile
CID 43779661
1-N-(3-methoxybutan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 115916626
4-N,4-N,2-trimethyl-1-N-(2-methylpentan-3-yl)benzene-1,4-diamine
CID 43779641
4-N,4-N,2-trimethyl-1-N-[1-(1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine
CID 115916628
2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43192518
2-fluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43194896
2-[1-(furan-2-yl)ethylamino]-5-methylbenzenecarbothioamide
CID 114017041
2-chloro-N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43714604
5-chloro-2-[1-(furan-2-yl)ethylamino]benzonitrile
CID 62494326
2-[1-(furan-2-yl)ethylamino]-4-methylbenzenecarbothioamide
CID 55057358

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(furan-2-yl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[1-(furan-2-yl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine (CID 43677033) is 1-N-[1-(furan-2-yl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[1-(furan-2-yl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[1-(furan-2-yl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine is Cc1cc(N(C)C)ccc1NC(C)c1ccco1.
What is the InChIKey of 1-N-[1-(furan-2-yl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The InChIKey is RKVJJODLIKQCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-10-13(17(3)4)7-8-14(11)16-12(2)15-6-5-9-18-15/h5-10,12,16H,1-4H3.
What are the key properties of 1-N-[1-(furan-2-yl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine?
1-N-[1-(furan-2-yl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine has a molecular weight of 244.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(furan-2-yl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine is sourced from PubChem (CID 43677033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).