N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpropan-2-amine

C16H21NO — CID 55150852

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpropan-2-amine
SMILESCc1ccc(C(C)NC(C)Cc2ccccc2)o1
InChIInChI=1S/C16H21NO/c1-12(11-15-7-5-4-6-8-15)17-14(3)16-10-9-13(2)18-16/h4-10,12,14,17H,11H2,1-3H3
InChIKeyNTKRSKXZPUHYPQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.87
Rot. Bonds5

About N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpropan-2-amine

N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpropan-2-amine (PubChem CID 55150852) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpropan-2-amine
PubChem CID55150852
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpropan-2-amine
SMILESCc1ccc(C(C)NC(C)Cc2ccccc2)o1
InChIInChI=1S/C16H21NO/c1-12(11-15-7-5-4-6-8-15)17-14(3)16-10-9-13(2)18-16/h4-10,12,14,17H,11H2,1-3H3
InChIKeyNTKRSKXZPUHYPQ-UHFFFAOYSA-N
XLogP3.87
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol
CID 103871755
N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine
CID 81375017
(2S)-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine
CID 781905
(4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol
CID 97051651
N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43684931
4-[3-[1-(5-methylfuran-2-yl)ethylamino]butyl]phenol
CID 43685015
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol
CID 43207118
ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate
CID 103602127
(2R,3R)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol
CID 124512374
(2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol
CID 124833939
N-[1-(5-methylfuran-2-yl)ethyl]-3-phenylprop-2-yn-1-amine
CID 62340356

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpropan-2-amine?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpropan-2-amine (CID 55150852) is N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpropan-2-amine.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpropan-2-amine?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpropan-2-amine is Cc1ccc(C(C)NC(C)Cc2ccccc2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpropan-2-amine?
The InChIKey is NTKRSKXZPUHYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12(11-15-7-5-4-6-8-15)17-14(3)16-10-9-13(2)18-16/h4-10,12,14,17H,11H2,1-3H3.
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpropan-2-amine?
N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpropan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 55150852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).