N'-(furan-2-ylmethyl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine

C17H24N2O — CID 62617370

IUPACN'-(furan-2-ylmethyl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
SMILESCNC(CCN(C)Cc1ccco1)c1ccc(C)cc1
InChIInChI=1S/C17H24N2O/c1-14-6-8-15(9-7-14)17(18-2)10-11-19(3)13-16-5-4-12-20-16/h4-9,12,17-18H,10-11,13H2,1-3H3
InChIKeySCIKMMYNKXXJRI-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.37
Rot. Bonds7

About N'-(furan-2-ylmethyl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine

N'-(furan-2-ylmethyl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine (PubChem CID 62617370) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
PubChem CID62617370
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN'-(furan-2-ylmethyl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
SMILESCNC(CCN(C)Cc1ccco1)c1ccc(C)cc1
InChIInChI=1S/C17H24N2O/c1-14-6-8-15(9-7-14)17(18-2)10-11-19(3)13-16-5-4-12-20-16/h4-9,12,17-18H,10-11,13H2,1-3H3
InChIKeySCIKMMYNKXXJRI-UHFFFAOYSA-N
XLogP3.37
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N'-(furan-2-ylmethyl)-N,N'-dimethylpropane-1,3-diamine
CID 62617201
N,N'-dimethyl-1-(4-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62618052
N'-[(5-chlorothiophen-2-yl)methyl]-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618933
1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 62644722
N'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine
CID 81079891
N'-(furan-2-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 60843082
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
N,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine
CID 62613615
2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099134
3-acetamido-N-(furan-2-ylmethyl)-N,3-bis(4-methylphenyl)propanamide
CID 43040064
N,N'-dimethyl-N'-(4-methylpentan-2-yl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62619308
N'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62617540

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-(furan-2-ylmethyl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine (CID 62617370) is N'-(furan-2-ylmethyl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(furan-2-ylmethyl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(furan-2-ylmethyl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine is CNC(CCN(C)Cc1ccco1)c1ccc(C)cc1.
What is the InChIKey of N'-(furan-2-ylmethyl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine?
The InChIKey is SCIKMMYNKXXJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-14-6-8-15(9-7-14)17(18-2)10-11-19(3)13-16-5-4-12-20-16/h4-9,12,17-18H,10-11,13H2,1-3H3.
What are the key properties of N'-(furan-2-ylmethyl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine?
N'-(furan-2-ylmethyl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine has a molecular weight of 272.39 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 62617370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).