N,N',2-trimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-phenylpropane-1,3-diamine

C18H26N2O — CID 62258012

IUPACN,N',2-trimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-phenylpropane-1,3-diamine
SMILESCNCC(C)(CN(C)Cc1ccc(C)o1)c1ccccc1
InChIInChI=1S/C18H26N2O/c1-15-10-11-17(21-15)12-20(4)14-18(2,13-19-3)16-8-6-5-7-9-16/h5-11,19H,12-14H2,1-4H3
InChIKeyZJJIDHMBTBAETJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.20
Rot. Bonds7

About N,N',2-trimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-phenylpropane-1,3-diamine

N,N',2-trimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-phenylpropane-1,3-diamine (PubChem CID 62258012) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N,N',2-trimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N',2-trimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-phenylpropane-1,3-diamine
PubChem CID62258012
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN,N',2-trimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-phenylpropane-1,3-diamine
SMILESCNCC(C)(CN(C)Cc1ccc(C)o1)c1ccccc1
InChIInChI=1S/C18H26N2O/c1-15-10-11-17(21-15)12-20(4)14-18(2,13-19-3)16-8-6-5-7-9-16/h5-11,19H,12-14H2,1-4H3
InChIKeyZJJIDHMBTBAETJ-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol
CID 60886966
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
1-N,2,2,3-tetramethyl-1-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine
CID 65266928
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine
CID 62255918
N-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine
CID 62255914
N-(2-fluorophenyl)-N,N',2-trimethyl-2-phenylpropane-1,3-diamine
CID 62260635
N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine
CID 62256958
2,2-diethyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 62257493
1-N,2,2-trimethyl-1-N-[(5-methylfuran-2-yl)methyl]-3-N-propylbutane-1,3-diamine
CID 66455352
N,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine
CID 79310034
2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]aniline
CID 43526030
N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine
CID 80551355

Frequently Asked Questions

What is the IUPAC name of N,N',2-trimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-phenylpropane-1,3-diamine?
The IUPAC name of N,N',2-trimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-phenylpropane-1,3-diamine (CID 62258012) is N,N',2-trimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-phenylpropane-1,3-diamine.
What is the SMILES notation for N,N',2-trimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-phenylpropane-1,3-diamine?
The canonical SMILES for N,N',2-trimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-phenylpropane-1,3-diamine is CNCC(C)(CN(C)Cc1ccc(C)o1)c1ccccc1.
What is the InChIKey of N,N',2-trimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-phenylpropane-1,3-diamine?
The InChIKey is ZJJIDHMBTBAETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-15-10-11-17(21-15)12-20(4)14-18(2,13-19-3)16-8-6-5-7-9-16/h5-11,19H,12-14H2,1-4H3.
What are the key properties of N,N',2-trimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-phenylpropane-1,3-diamine?
N,N',2-trimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-phenylpropane-1,3-diamine has a molecular weight of 286.42 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-trimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-phenylpropane-1,3-diamine is sourced from PubChem (CID 62258012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).