(3S,4R)-4-ethyl-N-(furan-2-ylmethyl)-6-phenylmethoxyhex-1-en-3-amine

C20H27NO2 — CID 53376214

IUPAC(3S,4R)-4-ethyl-N-(furan-2-ylmethyl)-6-phenylmethoxyhex-1-en-3-amine
SMILESC=C[C@H](NCc1ccco1)C(CC)CCOCc1ccccc1
InChIInChI=1S/C20H27NO2/c1-3-18(12-14-22-16-17-9-6-5-7-10-17)20(4-2)21-15-19-11-8-13-23-19/h4-11,13,18,20-21H,2-3,12,14-16H2,1H3/t18?,20-/m0/s1
InChIKeyRCTAUQNBZLENJB-IJHRGXPZSA-N
MW313.44 g/mol
LogP4.56
Rot. Bonds11

About (3S,4R)-4-ethyl-N-(furan-2-ylmethyl)-6-phenylmethoxyhex-1-en-3-amine

(3S,4R)-4-ethyl-N-(furan-2-ylmethyl)-6-phenylmethoxyhex-1-en-3-amine (PubChem CID 53376214) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is (3S,4R)-4-ethyl-N-(furan-2-ylmethyl)-6-phenylmethoxyhex-1-en-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-ethyl-N-(furan-2-ylmethyl)-6-phenylmethoxyhex-1-en-3-amine
PubChem CID53376214
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name(3S,4R)-4-ethyl-N-(furan-2-ylmethyl)-6-phenylmethoxyhex-1-en-3-amine
SMILESC=C[C@H](NCc1ccco1)C(CC)CCOCc1ccccc1
InChIInChI=1S/C20H27NO2/c1-3-18(12-14-22-16-17-9-6-5-7-10-17)20(4-2)21-15-19-11-8-13-23-19/h4-11,13,18,20-21H,2-3,12,14-16H2,1H3/t18?,20-/m0/s1
InChIKeyRCTAUQNBZLENJB-IJHRGXPZSA-N
XLogP4.56
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-N-(furan-2-ylmethyl)-4-(phenylmethoxymethyl)hex-1-en-3-amine
CID 53376316
N-[(3S,4R)-4-ethyl-6-phenylmethoxyhex-1-en-3-yl]aniline
CID 53376212
1-(furan-2-yl)-N-phenylmethoxymethanamine
CID 82709159
(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
CID 28608389
N-benzyl-2-(furan-2-ylmethoxy)ethanamine
CID 62564992
N-(furan-2-ylmethyl)-4-phenylbutan-2-amine
CID 3156796
N-(furan-2-ylmethyl)-2,2-dimethylpentan-3-amine;hydrochloride
CID 115616067
N-(furan-2-ylmethyl)-1,1-diphenylmethanamine
CID 15830516
(4R)-1-phenylmethoxyhexane-3,4-diol
CID 165032455
3-ethyl-N-[4-(furan-2-yl)butan-2-yl]pentan-2-amine
CID 63842275
tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane
CID 174283029
(3S,4S)-1-[(4-methoxyphenyl)methoxy]-4-[[(2S)-1-phenylmethoxybut-3-en-2-yl]amino]hex-5-en-3-ol
CID 11464055

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-ethyl-N-(furan-2-ylmethyl)-6-phenylmethoxyhex-1-en-3-amine?
The IUPAC name of (3S,4R)-4-ethyl-N-(furan-2-ylmethyl)-6-phenylmethoxyhex-1-en-3-amine (CID 53376214) is (3S,4R)-4-ethyl-N-(furan-2-ylmethyl)-6-phenylmethoxyhex-1-en-3-amine.
What is the SMILES notation for (3S,4R)-4-ethyl-N-(furan-2-ylmethyl)-6-phenylmethoxyhex-1-en-3-amine?
The canonical SMILES for (3S,4R)-4-ethyl-N-(furan-2-ylmethyl)-6-phenylmethoxyhex-1-en-3-amine is C=C[C@H](NCc1ccco1)C(CC)CCOCc1ccccc1.
What is the InChIKey of (3S,4R)-4-ethyl-N-(furan-2-ylmethyl)-6-phenylmethoxyhex-1-en-3-amine?
The InChIKey is RCTAUQNBZLENJB-IJHRGXPZSA-N. The full InChI is InChI=1S/C20H27NO2/c1-3-18(12-14-22-16-17-9-6-5-7-10-17)20(4-2)21-15-19-11-8-13-23-19/h4-11,13,18,20-21H,2-3,12,14-16H2,1H3/t18?,20-/m0/s1.
What are the key properties of (3S,4R)-4-ethyl-N-(furan-2-ylmethyl)-6-phenylmethoxyhex-1-en-3-amine?
(3S,4R)-4-ethyl-N-(furan-2-ylmethyl)-6-phenylmethoxyhex-1-en-3-amine has a molecular weight of 313.44 g/mol, XLogP of 4.56, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-ethyl-N-(furan-2-ylmethyl)-6-phenylmethoxyhex-1-en-3-amine is sourced from PubChem (CID 53376214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).