N-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine

C17H23NO — CID 116544236

IUPACN-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(CC(C)C)c1)c1ccco1
InChIInChI=1S/C17H23NO/c1-4-18-17(16-9-6-10-19-16)15-8-5-7-14(12-15)11-13(2)3/h5-10,12-13,17-18H,4,11H2,1-3H3
InChIKeyAQEIJAGGXGIDSQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.18
Rot. Bonds6

About N-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine

N-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine (PubChem CID 116544236) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine
PubChem CID116544236
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(CC(C)C)c1)c1ccco1
InChIInChI=1S/C17H23NO/c1-4-18-17(16-9-6-10-19-16)15-8-5-7-14(12-15)11-13(2)3/h5-10,12-13,17-18H,4,11H2,1-3H3
InChIKeyAQEIJAGGXGIDSQ-UHFFFAOYSA-N
XLogP4.18
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116543854
N-[(2,5-dimethylfuran-3-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 105050768
N-[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544290
N-[(2-bromophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544140
N-[[3-(2-methylpropyl)phenyl]-pyridazin-4-ylmethyl]ethanamine
CID 105188044
N-[(3-fluoro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544944
N-[(2,6-dimethyl-4-pyridinyl)-(furan-2-yl)methyl]ethanamine
CID 107503948
N-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63185696
N-[(3-chloro-4-iodophenyl)-(furan-2-yl)methyl]ethanamine
CID 103215267
N-[2,3-dihydro-1H-inden-5-yl(furan-2-yl)methyl]ethanamine
CID 43491712
N-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine
CID 62715603
N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050715

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine (CID 116544236) is N-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine is CCNC(c1cccc(CC(C)C)c1)c1ccco1.
What is the InChIKey of N-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine?
The InChIKey is AQEIJAGGXGIDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-18-17(16-9-6-10-19-16)15-8-5-7-14(12-15)11-13(2)3/h5-10,12-13,17-18H,4,11H2,1-3H3.
What are the key properties of N-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine?
N-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 116544236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).