N-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine

C16H21NO2 — CID 84756405

IUPACN-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(OC(C)C)cc2)o1
InChIInChI=1S/C16H21NO2/c1-4-17-11-15-9-10-16(19-15)13-5-7-14(8-6-13)18-12(2)3/h5-10,12,17H,4,11H2,1-3H3
InChIKeyCFPIHBWMEKBDPW-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.84
Rot. Bonds6

About N-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine

N-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine (PubChem CID 84756405) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine
PubChem CID84756405
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(OC(C)C)cc2)o1
InChIInChI=1S/C16H21NO2/c1-4-17-11-15-9-10-16(19-15)13-5-7-14(8-6-13)18-12(2)3/h5-10,12,17H,4,11H2,1-3H3
InChIKeyCFPIHBWMEKBDPW-UHFFFAOYSA-N
XLogP3.84
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106886886
N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61282527
N-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 60761686
methyl 4-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]furan-2-yl]benzoate
CID 8636670
N-[[5-(2,3,4,5,6-pentamethylphenyl)furan-2-yl]methyl]ethanamine
CID 106888548
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine
CID 17207835
1-[4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17333543
N-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine
CID 106887863
N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]ethanamine
CID 107289734
N-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine
CID 106888028
(2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol
CID 8622014
ethyl 4-[5-[[2-(2-hydroxypropylamino)ethylamino]methyl]furan-2-yl]benzoate;dihydrochloride
CID 17331156

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine (CID 84756405) is N-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine is CCNCc1ccc(-c2ccc(OC(C)C)cc2)o1.
What is the InChIKey of N-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine?
The InChIKey is CFPIHBWMEKBDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-17-11-15-9-10-16(19-15)13-5-7-14(8-6-13)18-12(2)3/h5-10,12,17H,4,11H2,1-3H3.
What are the key properties of N-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine?
N-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 84756405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).