N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]-N-methylaniline

C18H26N2O — CID 62438515

IUPACN-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]-N-methylaniline
SMILESCc1cc(CN(C)c2ccccc2)oc1CNC(C)(C)C
InChIInChI=1S/C18H26N2O/c1-14-11-16(21-17(14)12-19-18(2,3)4)13-20(5)15-9-7-6-8-10-15/h6-11,19H,12-13H2,1-5H3
InChIKeyIRTFHVXMFGPZQJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.11
Rot. Bonds5

About N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]-N-methylaniline

N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]-N-methylaniline (PubChem CID 62438515) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]-N-methylaniline.

Molecular Properties

Compound NameN-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]-N-methylaniline
PubChem CID62438515
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]-N-methylaniline
SMILESCc1cc(CN(C)c2ccccc2)oc1CNC(C)(C)C
InChIInChI=1S/C18H26N2O/c1-14-11-16(21-17(14)12-19-18(2,3)4)13-20(5)15-9-7-6-8-10-15/h6-11,19H,12-13H2,1-5H3
InChIKeyIRTFHVXMFGPZQJ-UHFFFAOYSA-N
XLogP4.11
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylaniline
CID 62438508
N-[[5-[[furan-3-ylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62461132
N,4-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
CID 62431400
N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63657143
3-methoxy-N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62431150
2-methyl-N-[[3-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62436432
N-butyl-N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]cyclopropanamine
CID 62428779
N-[[5-[3-(dimethylamino)propoxymethyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62460612
N-[2-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methoxy]ethyl]-N-methylcyclopropanamine
CID 102740914
N-[[5-[(cyclopropylamino)methyl]-4-methylfuran-2-yl]methyl]-N-ethylaniline
CID 62424504
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline
CID 62431053
N-tert-butyl-N'-methyl-N'-phenylethane-1,2-diamine
CID 54807376

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]-N-methylaniline?
The IUPAC name of N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]-N-methylaniline (CID 62438515) is N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]-N-methylaniline.
What is the SMILES notation for N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]-N-methylaniline?
The canonical SMILES for N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]-N-methylaniline is Cc1cc(CN(C)c2ccccc2)oc1CNC(C)(C)C.
What is the InChIKey of N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]-N-methylaniline?
The InChIKey is IRTFHVXMFGPZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-11-16(21-17(14)12-19-18(2,3)4)13-20(5)15-9-7-6-8-10-15/h6-11,19H,12-13H2,1-5H3.
What are the key properties of N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]-N-methylaniline?
N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]-N-methylaniline has a molecular weight of 286.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]-N-methylaniline is sourced from PubChem (CID 62438515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).