N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline

C17H24N2O — CID 62431569

IUPACN,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
SMILESCc1ccc(N(C)Cc2occc2CNC(C)C)cc1
InChIInChI=1S/C17H24N2O/c1-13(2)18-11-15-9-10-20-17(15)12-19(4)16-7-5-14(3)6-8-16/h5-10,13,18H,11-12H2,1-4H3
InChIKeyIAXXTDUIWHMIBI-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.72
Rot. Bonds6

About N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline

N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline (PubChem CID 62431569) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline.

Molecular Properties

Compound NameN,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
PubChem CID62431569
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
SMILESCc1ccc(N(C)Cc2occc2CNC(C)C)cc1
InChIInChI=1S/C17H24N2O/c1-13(2)18-11-15-9-10-20-17(15)12-19(4)16-7-5-14(3)6-8-16/h5-10,13,18H,11-12H2,1-4H3
InChIKeyIAXXTDUIWHMIBI-UHFFFAOYSA-N
XLogP3.72
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,3,5-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]aniline
CID 62462156
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine
CID 63699522
N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 62420559
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline
CID 62431053
N-[[2-[[cyclopropylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62426746
4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]aniline
CID 62435869
N-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62420998
N,4-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
CID 62431400
4-ethyl-N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62434588
N-[[2-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62411999
N,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline
CID 106886715
N-[[2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62431387

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline?
The IUPAC name of N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline (CID 62431569) is N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline.
What is the SMILES notation for N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline?
The canonical SMILES for N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline is Cc1ccc(N(C)Cc2occc2CNC(C)C)cc1.
What is the InChIKey of N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline?
The InChIKey is IAXXTDUIWHMIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(2)18-11-15-9-10-20-17(15)12-19(4)16-7-5-14(3)6-8-16/h5-10,13,18H,11-12H2,1-4H3.
What are the key properties of N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline?
N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline has a molecular weight of 272.39 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline is sourced from PubChem (CID 62431569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).