3-N,3-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,3-diamine

C15H20N2O — CID 115376129

IUPAC3-N,3-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,3-diamine
SMILESCc1ccc(C(C)Nc2cccc(N(C)C)c2)o1
InChIInChI=1S/C15H20N2O/c1-11-8-9-15(18-11)12(2)16-13-6-5-7-14(10-13)17(3)4/h5-10,12,16H,1-4H3
InChIKeyYCYPRARUZJQCPZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.83
Rot. Bonds4

About 3-N,3-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,3-diamine

3-N,3-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,3-diamine (PubChem CID 115376129) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,3-diamine
PubChem CID115376129
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-N,3-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,3-diamine
SMILESCc1ccc(C(C)Nc2cccc(N(C)C)c2)o1
InChIInChI=1S/C15H20N2O/c1-11-8-9-15(18-11)12(2)16-13-6-5-7-14(10-13)17(3)4/h5-10,12,16H,1-4H3
InChIKeyYCYPRARUZJQCPZ-UHFFFAOYSA-N
XLogP3.83
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43189724
N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetamide
CID 43193733
methyl N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
CID 60942225
1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115375943
N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193618
1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376525
3-N,3-N-dimethyl-1-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]benzene-1,3-diamine
CID 115376388
N-[1-(5-methylfuran-2-yl)ethyl]-3-(1,3-oxazol-5-yl)aniline
CID 60935318
1-N-(1,1-dimethoxypropan-2-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297532
1-N-[1-(2,4-difluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376255
1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115375945
N-[1-(5-methylfuran-2-yl)ethyl]pyridin-4-amine
CID 61039528

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,3-diamine (CID 115376129) is 3-N,3-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,3-diamine is Cc1ccc(C(C)Nc2cccc(N(C)C)c2)o1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,3-diamine?
The InChIKey is YCYPRARUZJQCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-8-9-15(18-11)12(2)16-13-6-5-7-14(10-13)17(3)4/h5-10,12,16H,1-4H3.
What are the key properties of 3-N,3-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,3-diamine?
3-N,3-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,3-diamine has a molecular weight of 244.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,3-diamine is sourced from PubChem (CID 115376129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).