N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,3-dimethylaniline

C18H26N2O — CID 62436029

IUPACN-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,3-dimethylaniline
SMILESCc1cccc(N(C)Cc2occc2CNC(C)(C)C)c1
InChIInChI=1S/C18H26N2O/c1-14-7-6-8-16(11-14)20(5)13-17-15(9-10-21-17)12-19-18(2,3)4/h6-11,19H,12-13H2,1-5H3
InChIKeyALVFWSJCTVCUJZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.11
Rot. Bonds5

About N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,3-dimethylaniline

N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,3-dimethylaniline (PubChem CID 62436029) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,3-dimethylaniline.

Molecular Properties

Compound NameN-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,3-dimethylaniline
PubChem CID62436029
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,3-dimethylaniline
SMILESCc1cccc(N(C)Cc2occc2CNC(C)(C)C)c1
InChIInChI=1S/C18H26N2O/c1-14-7-6-8-16(11-14)20(5)13-17-15(9-10-21-17)12-19-18(2,3)4/h6-11,19H,12-13H2,1-5H3
InChIKeyALVFWSJCTVCUJZ-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-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline
CID 62431053
N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylcyclopropanamine
CID 62417218
N-[[3-(aminomethyl)furan-2-yl]methyl]-N,3,5-trimethylaniline
CID 62461981
3-[(tert-butylamino)methyl]-N-methyl-N-(3-methylphenyl)pyridin-2-amine
CID 62294058
N-[[3-(aminomethyl)furan-2-yl]methyl]-3-fluoro-N-methylaniline
CID 62435492
N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
CID 62431569
N,2,4-trimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62436908
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-3-methylaniline
CID 62426756
N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylaniline
CID 62438508
N,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline
CID 62434976
N-[[3-[[ethyl(methyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62419327
N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine
CID 62421606

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,3-dimethylaniline?
The IUPAC name of N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,3-dimethylaniline (CID 62436029) is N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,3-dimethylaniline.
What is the SMILES notation for N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,3-dimethylaniline?
The canonical SMILES for N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,3-dimethylaniline is Cc1cccc(N(C)Cc2occc2CNC(C)(C)C)c1.
What is the InChIKey of N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,3-dimethylaniline?
The InChIKey is ALVFWSJCTVCUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-7-6-8-16(11-14)20(5)13-17-15(9-10-21-17)12-19-18(2,3)4/h6-11,19H,12-13H2,1-5H3.
What are the key properties of N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,3-dimethylaniline?
N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,3-dimethylaniline 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-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,3-dimethylaniline is sourced from PubChem (CID 62436029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).