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

C15H19NO — CID 781905

IUPAC(2S)-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine
SMILESCc1ccc(CN[C@@H](C)Cc2ccccc2)o1
InChIInChI=1S/C15H19NO/c1-12(10-14-6-4-3-5-7-14)16-11-15-9-8-13(2)17-15/h3-9,12,16H,10-11H2,1-2H3/t12-/m0/s1
InChIKeyXJDMKPUUJXVUSW-LBPRGKRZSA-N
MW229.32 g/mol
LogP3.31
Rot. Bonds5

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

(2S)-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine (PubChem CID 781905) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (2S)-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine
PubChem CID781905
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(2S)-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine
SMILESCc1ccc(CN[C@@H](C)Cc2ccccc2)o1
InChIInChI=1S/C15H19NO/c1-12(10-14-6-4-3-5-7-14)16-11-15-9-8-13(2)17-15/h3-9,12,16H,10-11H2,1-2H3/t12-/m0/s1
InChIKeyXJDMKPUUJXVUSW-LBPRGKRZSA-N
XLogP3.31
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(5-methylfuran-2-yl)methyl]-4-phenylbutan-2-amine
CID 40725603
4-[2-[(5-methylfuran-2-yl)methylamino]propyl]phenol
CID 78943399
N-[(5-iodofuran-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010727
N-[(5-nitrofuran-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012785
N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpropan-2-amine
CID 55150852
N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012085
1-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propan-2-amine
CID 63988709
5-[[1-(2-methylphenyl)propan-2-ylamino]methyl]furan-2-carboxylic acid
CID 63317201
3-amino-2-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-sulfanylidenepropanamide
CID 62524742
5-[(1-phenylpropan-2-ylamino)methyl]furan-3-carboxylic acid
CID 104608921
(1R)-1-(furan-2-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 81402622
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylpropan-2-amine
CID 114991150

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine?
The IUPAC name of (2S)-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine (CID 781905) is (2S)-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine.
What is the SMILES notation for (2S)-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine?
The canonical SMILES for (2S)-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine is Cc1ccc(CN[C@@H](C)Cc2ccccc2)o1.
What is the InChIKey of (2S)-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine?
The InChIKey is XJDMKPUUJXVUSW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19NO/c1-12(10-14-6-4-3-5-7-14)16-11-15-9-8-13(2)17-15/h3-9,12,16H,10-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine?
(2S)-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine has a molecular weight of 229.32 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 781905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).