N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine

C17H24N2O — CID 62556302

IUPACN-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccccc1CN(C)CCNC(C)c1ccco1
InChIInChI=1S/C17H24N2O/c1-14-7-4-5-8-16(14)13-19(3)11-10-18-15(2)17-9-6-12-20-17/h4-9,12,15,18H,10-11,13H2,1-3H3
InChIKeyLEIXDPDMMWKFSS-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.37
Rot. Bonds7

About N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine

N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 62556302) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID62556302
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccccc1CN(C)CCNC(C)c1ccco1
InChIInChI=1S/C17H24N2O/c1-14-7-4-5-8-16(14)13-19(3)11-10-18-15(2)17-9-6-12-20-17/h4-9,12,15,18H,10-11,13H2,1-3H3
InChIKeyLEIXDPDMMWKFSS-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

N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine
CID 62560734
N'-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 62557968
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55088903
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 62573599
N-[1-(furan-2-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62557270
N-(dicyclopropylmethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62557701
N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine
CID 113409141
N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 54864150
N'-[(2-bromo-3-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 114023812
N'-cyclopentyl-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 55138698
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62557588
N'-(furan-2-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 60843082

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine (CID 62556302) is N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine is Cc1ccccc1CN(C)CCNC(C)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is LEIXDPDMMWKFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-14-7-4-5-8-16(14)13-19(3)11-10-18-15(2)17-9-6-12-20-17/h4-9,12,15,18H,10-11,13H2,1-3H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine?
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-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-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62556302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).