N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine

C17H24N2O — CID 62461578

IUPACN-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(CN(CC)Cc2ccco2)cc1
InChIInChI=1S/C17H24N2O/c1-3-18-12-15-7-9-16(10-8-15)13-19(4-2)14-17-6-5-11-20-17/h5-11,18H,3-4,12-14H2,1-2H3
InChIKeyNENJVNXULKFHBO-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.41
Rot. Bonds8

About N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine

N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine (PubChem CID 62461578) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
PubChem CID62461578
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(CN(CC)Cc2ccco2)cc1
InChIInChI=1S/C17H24N2O/c1-3-18-12-15-7-9-16(10-8-15)13-19(4-2)14-17-6-5-11-20-17/h5-11,18H,3-4,12-14H2,1-2H3
InChIKeyNENJVNXULKFHBO-UHFFFAOYSA-N
XLogP3.41
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62461060
N-ethyl-2-[2-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]ethanamine
CID 115463985
N'-ethyl-N,N'-bis(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558930
2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline
CID 81149232
N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
methyl 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-fluorobenzoate
CID 103749274
N-(furan-2-ylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine
CID 62462824
N-[[3-(diethylaminomethyl)phenyl]methyl]ethanamine
CID 46785465
N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-2,2,2-trifluoroethanamine
CID 62426087
2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone
CID 62037203
N-[[5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62463168
1-[ethyl(furan-2-ylmethyl)amino]butan-2-ol
CID 61423764

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine (CID 62461578) is N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine is CCNCc1ccc(CN(CC)Cc2ccco2)cc1.
What is the InChIKey of N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine?
The InChIKey is NENJVNXULKFHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-18-12-15-7-9-16(10-8-15)13-19(4-2)14-17-6-5-11-20-17/h5-11,18H,3-4,12-14H2,1-2H3.
What are the key properties of N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine?
N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine has a molecular weight of 272.39 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62461578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).