N,4-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline

C18H26N2O — CID 62431400

IUPACN,4-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
SMILESCc1ccc(N(C)Cc2cc(C)c(CNC(C)C)o2)cc1
InChIInChI=1S/C18H26N2O/c1-13(2)19-11-18-15(4)10-17(21-18)12-20(5)16-8-6-14(3)7-9-16/h6-10,13,19H,11-12H2,1-5H3
InChIKeyIDYDFOKJTYJROT-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.03
Rot. Bonds6

About N,4-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline

N,4-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline (PubChem CID 62431400) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N,4-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline.

Molecular Properties

Compound NameN,4-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
PubChem CID62431400
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN,4-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
SMILESCc1ccc(N(C)Cc2cc(C)c(CNC(C)C)o2)cc1
InChIInChI=1S/C18H26N2O/c1-13(2)19-11-18-15(4)10-17(21-18)12-20(5)16-8-6-14(3)7-9-16/h6-10,13,19H,11-12H2,1-5H3
InChIKeyIDYDFOKJTYJROT-UHFFFAOYSA-N
XLogP4.03
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.03
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-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62449443
N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
CID 62431569
N-[[5-[[bis(2-methoxyethyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 62462848
N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]-N-methylaniline
CID 62438515
N,2-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]oxolan-3-amine
CID 82753900
N-ethyl-2-methyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 79481157
5-[(N,4-dimethylanilino)methyl]-3-methylfuran-2-carbohydrazide
CID 63585841
N-ethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclohexanamine
CID 62425039
N,3,5-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]aniline
CID 62462156
3-methoxy-N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62431150
N-[[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 82808168
N-[[3-methyl-5-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methyl]propan-2-amine
CID 106450107

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline?
The IUPAC name of N,4-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline (CID 62431400) is N,4-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline.
What is the SMILES notation for N,4-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline?
The canonical SMILES for N,4-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline is Cc1ccc(N(C)Cc2cc(C)c(CNC(C)C)o2)cc1.
What is the InChIKey of N,4-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline?
The InChIKey is IDYDFOKJTYJROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(2)19-11-18-15(4)10-17(21-18)12-20(5)16-8-6-14(3)7-9-16/h6-10,13,19H,11-12H2,1-5H3.
What are the key properties of N,4-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline?
N,4-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline has a molecular weight of 286.42 g/mol, XLogP of 4.03, 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-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline is sourced from PubChem (CID 62431400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).