N,3-dimethyl-4-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]aniline

C16H22N2O — CID 62135016

IUPACN,3-dimethyl-4-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]aniline
SMILESCNCc1ccc(N(C)Cc2ccc(C)o2)cc1C
InChIInChI=1S/C16H22N2O/c1-12-9-15(7-6-14(12)10-17-3)18(4)11-16-8-5-13(2)19-16/h5-9,17H,10-11H2,1-4H3
InChIKeyWHYZUGNNLUDNGL-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.25
Rot. Bonds5

About N,3-dimethyl-4-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]aniline

N,3-dimethyl-4-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]aniline (PubChem CID 62135016) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N,3-dimethyl-4-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]aniline.

Molecular Properties

Compound NameN,3-dimethyl-4-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]aniline
PubChem CID62135016
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN,3-dimethyl-4-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]aniline
SMILESCNCc1ccc(N(C)Cc2ccc(C)o2)cc1C
InChIInChI=1S/C16H22N2O/c1-12-9-15(7-6-14(12)10-17-3)18(4)11-16-8-5-13(2)19-16/h5-9,17H,10-11H2,1-4H3
InChIKeyWHYZUGNNLUDNGL-UHFFFAOYSA-N
XLogP3.25
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,N,3-trimethyl-4-(methylaminomethyl)aniline
CID 62135688
2-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
CID 55038712
N-[(2-chlorophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline
CID 62135377
N-[(3-bromophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline
CID 62134209
N,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline
CID 62135727
N,3-dimethyl-5-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine
CID 80630644
N,3-dimethyl-4-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63837321
2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide
CID 62136541
5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol
CID 107201156
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzonitrile
CID 62982958
2-fluoro-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenecarbothioamide
CID 115367938
N-methyl-1-[3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
CID 62421902

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]aniline?
The IUPAC name of N,3-dimethyl-4-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]aniline (CID 62135016) is N,3-dimethyl-4-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]aniline.
What is the SMILES notation for N,3-dimethyl-4-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]aniline?
The canonical SMILES for N,3-dimethyl-4-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]aniline is CNCc1ccc(N(C)Cc2ccc(C)o2)cc1C.
What is the InChIKey of N,3-dimethyl-4-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]aniline?
The InChIKey is WHYZUGNNLUDNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-9-15(7-6-14(12)10-17-3)18(4)11-16-8-5-13(2)19-16/h5-9,17H,10-11H2,1-4H3.
What are the key properties of N,3-dimethyl-4-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]aniline?
N,3-dimethyl-4-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]aniline has a molecular weight of 258.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]aniline is sourced from PubChem (CID 62135016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).