N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine

C15H20N2O — CID 61422487

IUPACN-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)Cc2ccoc2)cc1
InChIInChI=1S/C15H20N2O/c1-12-3-5-14(6-4-12)15(9-16)17(2)10-13-7-8-18-11-13/h3-8,11,15H,9-10,16H2,1-2H3
InChIKeyYEKOLHCJZBRECN-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.72
Rot. Bonds5

About N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine

N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 61422487) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
PubChem CID61422487
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)Cc2ccoc2)cc1
InChIInChI=1S/C15H20N2O/c1-12-3-5-14(6-4-12)15(9-16)17(2)10-13-7-8-18-11-13/h3-8,11,15H,9-10,16H2,1-2H3
InChIKeyYEKOLHCJZBRECN-UHFFFAOYSA-N
XLogP2.72
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 79984790
1-(3-fluoro-4-methylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 55245764
1-(3,5-dichlorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 61421444
1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 61422331
N-(furan-3-ylmethyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 61422376
3-amino-2-[furan-3-ylmethyl(methyl)amino]propan-1-ol
CID 104710880
1-(furan-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 63208399
1-(3,4-dimethylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 43753470
N-(furan-3-ylmethyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62462915
1-(furan-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 43211734
1-(furan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 63208254
1-(furan-3-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 63208203

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine (CID 61422487) is N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine is Cc1ccc(C(CN)N(C)Cc2ccoc2)cc1.
What is the InChIKey of N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is YEKOLHCJZBRECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-3-5-14(6-4-12)15(9-16)17(2)10-13-7-8-18-11-13/h3-8,11,15H,9-10,16H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine?
N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 61422487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).