N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methyl]propan-1-amine

C18H26N2O — CID 62412365

IUPACN-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN(C)Cc2ccoc2C)cc1
InChIInChI=1S/C18H26N2O/c1-4-10-19-12-16-5-7-17(8-6-16)13-20(3)14-18-9-11-21-15(18)2/h5-9,11,19H,4,10,12-14H2,1-3H3
InChIKeyGTTHVPDJXPKAON-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.72
Rot. Bonds8

About N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methyl]propan-1-amine

N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methyl]propan-1-amine (PubChem CID 62412365) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methyl]propan-1-amine
PubChem CID62412365
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN(C)Cc2ccoc2C)cc1
InChIInChI=1S/C18H26N2O/c1-4-10-19-12-16-5-7-17(8-6-16)13-20(3)14-18-9-11-21-15(18)2/h5-9,11,19H,4,10,12-14H2,1-3H3
InChIKeyGTTHVPDJXPKAON-UHFFFAOYSA-N
XLogP3.72
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62411816
[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine
CID 61426662
N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62431655
3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(propylaminomethyl)pyridin-2-amine
CID 62289802
3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1-N-propylbutane-1,3-diamine
CID 55069522
N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62420227
N-[[3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62461529
N-[[4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 79859507
N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine
CID 55089418
1-(6-chloro-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine
CID 61426881
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62557063
N-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 80727596

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methyl]propan-1-amine (CID 62412365) is N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methyl]propan-1-amine is CCCNCc1ccc(CN(C)Cc2ccoc2C)cc1.
What is the InChIKey of N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methyl]propan-1-amine?
The InChIKey is GTTHVPDJXPKAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-10-19-12-16-5-7-17(8-6-16)13-20(3)14-18-9-11-21-15(18)2/h5-9,11,19H,4,10,12-14H2,1-3H3.
What are the key properties of N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methyl]propan-1-amine?
N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methyl]propan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62412365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).