N-methyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]furan-3-yl]methyl]aniline

C18H26N2O — CID 62437571

IUPACN-methyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]furan-3-yl]methyl]aniline
SMILESCc1oc(CNCC(C)C)cc1CN(C)c1ccccc1
InChIInChI=1S/C18H26N2O/c1-14(2)11-19-12-18-10-16(15(3)21-18)13-20(4)17-8-6-5-7-9-17/h5-10,14,19H,11-13H2,1-4H3
InChIKeyYEXACZBEFUHCMB-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.97
Rot. Bonds7

About N-methyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]furan-3-yl]methyl]aniline

N-methyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]furan-3-yl]methyl]aniline (PubChem CID 62437571) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-methyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]furan-3-yl]methyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]furan-3-yl]methyl]aniline
PubChem CID62437571
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-methyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]furan-3-yl]methyl]aniline
SMILESCc1oc(CNCC(C)C)cc1CN(C)c1ccccc1
InChIInChI=1S/C18H26N2O/c1-14(2)11-19-12-18-10-16(15(3)21-18)13-20(4)17-8-6-5-7-9-17/h5-10,14,19H,11-13H2,1-4H3
InChIKeyYEXACZBEFUHCMB-UHFFFAOYSA-N
XLogP3.97
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]aniline
CID 62437385
2-methyl-N-[[5-methyl-4-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62425019
2-methyl-N-[[5-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62427794
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62427807
2-methyl-N-[[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62421937
2-methyl-N-[[5-methyl-4-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 79841917
N-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 81068266
N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylaniline
CID 62438508
2-methyl-N-[[5-methyl-4-(propan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62455407
N-[[4-[3-(dimethylamino)propoxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62459346
N-[[4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 103340227
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline
CID 62434975

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]furan-3-yl]methyl]aniline?
The IUPAC name of N-methyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]furan-3-yl]methyl]aniline (CID 62437571) is N-methyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]furan-3-yl]methyl]aniline.
What is the SMILES notation for N-methyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]furan-3-yl]methyl]aniline?
The canonical SMILES for N-methyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]furan-3-yl]methyl]aniline is Cc1oc(CNCC(C)C)cc1CN(C)c1ccccc1.
What is the InChIKey of N-methyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]furan-3-yl]methyl]aniline?
The InChIKey is YEXACZBEFUHCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14(2)11-19-12-18-10-16(15(3)21-18)13-20(4)17-8-6-5-7-9-17/h5-10,14,19H,11-13H2,1-4H3.
What are the key properties of N-methyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]furan-3-yl]methyl]aniline?
N-methyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]furan-3-yl]methyl]aniline has a molecular weight of 286.42 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]furan-3-yl]methyl]aniline is sourced from PubChem (CID 62437571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).