N,3,5-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]aniline

C18H26N2O — CID 62462156

IUPACN,3,5-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]aniline
SMILESCc1cc(C)cc(N(C)Cc2ccoc2CNC(C)C)c1
InChIInChI=1S/C18H26N2O/c1-13(2)19-11-18-16(6-7-21-18)12-20(5)17-9-14(3)8-15(4)10-17/h6-10,13,19H,11-12H2,1-5H3
InChIKeyBWEXWUAWTAMRLL-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.03
Rot. Bonds6

About N,3,5-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]aniline

N,3,5-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]aniline (PubChem CID 62462156) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]aniline.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]aniline
PubChem CID62462156
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN,3,5-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]aniline
SMILESCc1cc(C)cc(N(C)Cc2ccoc2CNC(C)C)c1
InChIInChI=1S/C18H26N2O/c1-13(2)19-11-18-16(6-7-21-18)12-20(5)17-9-14(3)8-15(4)10-17/h6-10,13,19H,11-12H2,1-5H3
InChIKeyBWEXWUAWTAMRLL-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

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Related Compounds

N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
CID 62431569
N-methyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine
CID 62419285
N-[[3-(aminomethyl)furan-2-yl]methyl]-N,3,5-trimethylaniline
CID 62461981
N,3,3-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine
CID 62426847
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline
CID 62431053
N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62421744
N-(cyclopropylmethyl)-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propan-1-amine
CID 55073889
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine
CID 63699522
N,4-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
CID 62431400
4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline
CID 61426639
N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 62420559
N-[[2-[[cyclopropylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62426746

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]aniline?
The IUPAC name of N,3,5-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]aniline (CID 62462156) is N,3,5-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]aniline.
What is the SMILES notation for N,3,5-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]aniline?
The canonical SMILES for N,3,5-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]aniline is Cc1cc(C)cc(N(C)Cc2ccoc2CNC(C)C)c1.
What is the InChIKey of N,3,5-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]aniline?
The InChIKey is BWEXWUAWTAMRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(2)19-11-18-16(6-7-21-18)12-20(5)17-9-14(3)8-15(4)10-17/h6-10,13,19H,11-12H2,1-5H3.
What are the key properties of N,3,5-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]aniline?
N,3,5-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-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,3,5-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]aniline is sourced from PubChem (CID 62462156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).