N,N-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-1-phenylethane-1,2-diamine

C17H24N2O — CID 43201795

IUPACN,N-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-1-phenylethane-1,2-diamine
SMILESCc1ccc(C(C)NCC(c2ccccc2)N(C)C)o1
InChIInChI=1S/C17H24N2O/c1-13-10-11-17(20-13)14(2)18-12-16(19(3)4)15-8-6-5-7-9-15/h5-11,14,16,18H,12H2,1-4H3
InChIKeyWNEDGTVBJZLMLR-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.54
Rot. Bonds6

About N,N-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-1-phenylethane-1,2-diamine

N,N-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-1-phenylethane-1,2-diamine (PubChem CID 43201795) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N,N-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-1-phenylethane-1,2-diamine
PubChem CID43201795
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN,N-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-1-phenylethane-1,2-diamine
SMILESCc1ccc(C(C)NCC(c2ccccc2)N(C)C)o1
InChIInChI=1S/C17H24N2O/c1-13-10-11-17(20-13)14(2)18-12-16(19(3)4)15-8-6-5-7-9-15/h5-11,14,16,18H,12H2,1-4H3
InChIKeyWNEDGTVBJZLMLR-UHFFFAOYSA-N
XLogP3.54
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43201793
2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine
CID 115714157
(2R)-1-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]propan-2-ol
CID 93082108
(2R)-1-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 103906700
N'-[1-(2-fluorophenyl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43201789
2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
CID 60815401
N-[1-(5-methylfuran-2-yl)ethyl]-3-phenylprop-2-yn-1-amine
CID 62340356
N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43104171
2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine
CID 43684897
2-methyl-5-(1-phenylethyl)furan
CID 101473282
4-methyl-1-[1-(5-methylfuran-2-yl)ethylamino]pentan-2-ol
CID 115714813
N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43684931

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-1-phenylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-1-phenylethane-1,2-diamine (CID 43201795) is N,N-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-1-phenylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-1-phenylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-1-phenylethane-1,2-diamine is Cc1ccc(C(C)NCC(c2ccccc2)N(C)C)o1.
What is the InChIKey of N,N-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-1-phenylethane-1,2-diamine?
The InChIKey is WNEDGTVBJZLMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-10-11-17(20-13)14(2)18-12-16(19(3)4)15-8-6-5-7-9-15/h5-11,14,16,18H,12H2,1-4H3.
What are the key properties of N,N-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-1-phenylethane-1,2-diamine?
N,N-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-1-phenylethane-1,2-diamine has a molecular weight of 272.39 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-1-phenylethane-1,2-diamine is sourced from PubChem (CID 43201795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).