(1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine

C14H17NO2 — CID 81400353

IUPAC(1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine
SMILESC[C@H](NCCOc1ccccc1)c1ccco1
InChIInChI=1S/C14H17NO2/c1-12(14-8-5-10-17-14)15-9-11-16-13-6-3-2-4-7-13/h2-8,10,12,15H,9,11H2,1H3/t12-/m0/s1
InChIKeyBXVUFBVATFNQHG-LBPRGKRZSA-N
MW231.30 g/mol
LogP3.01
Rot. Bonds6

About (1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine

(1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine (PubChem CID 81400353) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine
PubChem CID81400353
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine
SMILESC[C@H](NCCOc1ccccc1)c1ccco1
InChIInChI=1S/C14H17NO2/c1-12(14-8-5-10-17-14)15-9-11-16-13-6-3-2-4-7-13/h2-8,10,12,15H,9,11H2,1H3/t12-/m0/s1
InChIKeyBXVUFBVATFNQHG-LBPRGKRZSA-N
XLogP3.01
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-yl)-N-[2-(4-methylsulfanylphenoxy)ethyl]ethanamine
CID 63649726
3-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]ethoxy]benzoic acid
CID 103260045
4-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 81392882
1-(furan-2-yl)-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethanamine
CID 116803887
(1S)-N-(2-ethoxyethyl)-1-(furan-2-yl)ethanamine
CID 81399975
N-[1-(furan-2-yl)ethyl]-3-methoxypropan-1-amine
CID 43205063
N-[2-(2-tert-butylphenoxy)ethyl]-1-(furan-2-yl)ethanamine
CID 62571794
1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 61483869
1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine
CID 102987416
(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine
CID 81357239
1-iodo-3-methyl-N-(2-phenoxyethyl)butan-2-amine
CID 107859490
N-[1-(furan-2-yl)ethyl]-4-phenylbutan-1-amine
CID 115708089

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine?
The IUPAC name of (1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine (CID 81400353) is (1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine.
What is the SMILES notation for (1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine?
The canonical SMILES for (1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine is C[C@H](NCCOc1ccccc1)c1ccco1.
What is the InChIKey of (1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine?
The InChIKey is BXVUFBVATFNQHG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17NO2/c1-12(14-8-5-10-17-14)15-9-11-16-13-6-3-2-4-7-13/h2-8,10,12,15H,9,11H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine?
(1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine has a molecular weight of 231.30 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine is sourced from PubChem (CID 81400353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).