N-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine

C16H22N2O — CID 62413219

IUPACN-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine
SMILESCNCc1occc1CN(C)Cc1cccc(C)c1
InChIInChI=1S/C16H22N2O/c1-13-5-4-6-14(9-13)11-18(3)12-15-7-8-19-16(15)10-17-2/h4-9,17H,10-12H2,1-3H3
InChIKeyAGHZFPLENXXKFI-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.94
Rot. Bonds6

About N-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine

N-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine (PubChem CID 62413219) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine
PubChem CID62413219
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine
SMILESCNCc1occc1CN(C)Cc1cccc(C)c1
InChIInChI=1S/C16H22N2O/c1-13-5-4-6-14(9-13)11-18(3)12-15-7-8-19-16(15)10-17-2/h4-9,17H,10-12H2,1-3H3
InChIKeyAGHZFPLENXXKFI-UHFFFAOYSA-N
XLogP2.94
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine
CID 62461527
N-methyl-1-[3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
CID 62421902
N-[[3-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62463416
2,2,2-trifluoro-N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]ethanamine
CID 62428704
N,3-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]butan-1-amine
CID 62462555
3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline
CID 61426758
3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzonitrile
CID 61370835
N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline
CID 61411671
2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383822
N-[[5-[[methyl-[[2-(methylaminomethyl)furan-3-yl]methyl]amino]methyl]furan-3-yl]methyl]cyclopentanamine
CID 123405857
N-[[2-[[(3-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine
CID 62428885
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine (CID 62413219) is N-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine is CNCc1occc1CN(C)Cc1cccc(C)c1.
What is the InChIKey of N-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine?
The InChIKey is AGHZFPLENXXKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13-5-4-6-14(9-13)11-18(3)12-15-7-8-19-16(15)10-17-2/h4-9,17H,10-12H2,1-3H3.
What are the key properties of N-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine?
N-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine has a molecular weight of 258.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62413219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).