(3S,4R)-N-(furan-2-ylmethyl)-4-(phenylmethoxymethyl)hex-1-en-3-amine

C19H25NO2 — CID 53376316

IUPAC(3S,4R)-N-(furan-2-ylmethyl)-4-(phenylmethoxymethyl)hex-1-en-3-amine
SMILESC=C[C@H](NCc1ccco1)[C@@H](CC)COCc1ccccc1
InChIInChI=1S/C19H25NO2/c1-3-17(15-21-14-16-9-6-5-7-10-16)19(4-2)20-13-18-11-8-12-22-18/h4-12,17,19-20H,2-3,13-15H2,1H3/t17-,19-/m0/s1
InChIKeyDDVXPEKSLFUDCT-HKUYNNGSSA-N
MW299.41 g/mol
LogP4.17
Rot. Bonds10

About (3S,4R)-N-(furan-2-ylmethyl)-4-(phenylmethoxymethyl)hex-1-en-3-amine

(3S,4R)-N-(furan-2-ylmethyl)-4-(phenylmethoxymethyl)hex-1-en-3-amine (PubChem CID 53376316) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (3S,4R)-N-(furan-2-ylmethyl)-4-(phenylmethoxymethyl)hex-1-en-3-amine.

Molecular Properties

Compound Name(3S,4R)-N-(furan-2-ylmethyl)-4-(phenylmethoxymethyl)hex-1-en-3-amine
PubChem CID53376316
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(3S,4R)-N-(furan-2-ylmethyl)-4-(phenylmethoxymethyl)hex-1-en-3-amine
SMILESC=C[C@H](NCc1ccco1)[C@@H](CC)COCc1ccccc1
InChIInChI=1S/C19H25NO2/c1-3-17(15-21-14-16-9-6-5-7-10-16)19(4-2)20-13-18-11-8-12-22-18/h4-12,17,19-20H,2-3,13-15H2,1H3/t17-,19-/m0/s1
InChIKeyDDVXPEKSLFUDCT-HKUYNNGSSA-N
XLogP4.17
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-4-ethyl-N-(furan-2-ylmethyl)-6-phenylmethoxyhex-1-en-3-amine
CID 53376214
1-(furan-2-yl)-N-phenylmethoxymethanamine
CID 82709159
N-[(3S,4R)-4-ethyl-6-phenylmethoxyhex-1-en-3-yl]aniline
CID 53376212
(2S)-N-benzyl-1-phenylmethoxybut-3-en-2-amine
CID 23583582
(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
CID 28608389
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
[(2S)-2-ethenylhexoxy]methylbenzene
CID 50898080
N-(furan-2-ylmethyl)-4-phenylbutan-2-amine
CID 3156796
1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine
CID 103271155
N-(furan-2-ylmethyl)-2,2-dimethylpentan-3-amine;hydrochloride
CID 115616067
2-fluorobutoxymethylbenzene
CID 121368179
N-(furan-2-ylmethyl)-1,1-diphenylmethanamine
CID 15830516

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-(furan-2-ylmethyl)-4-(phenylmethoxymethyl)hex-1-en-3-amine?
The IUPAC name of (3S,4R)-N-(furan-2-ylmethyl)-4-(phenylmethoxymethyl)hex-1-en-3-amine (CID 53376316) is (3S,4R)-N-(furan-2-ylmethyl)-4-(phenylmethoxymethyl)hex-1-en-3-amine.
What is the SMILES notation for (3S,4R)-N-(furan-2-ylmethyl)-4-(phenylmethoxymethyl)hex-1-en-3-amine?
The canonical SMILES for (3S,4R)-N-(furan-2-ylmethyl)-4-(phenylmethoxymethyl)hex-1-en-3-amine is C=C[C@H](NCc1ccco1)[C@@H](CC)COCc1ccccc1.
What is the InChIKey of (3S,4R)-N-(furan-2-ylmethyl)-4-(phenylmethoxymethyl)hex-1-en-3-amine?
The InChIKey is DDVXPEKSLFUDCT-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-17(15-21-14-16-9-6-5-7-10-16)19(4-2)20-13-18-11-8-12-22-18/h4-12,17,19-20H,2-3,13-15H2,1H3/t17-,19-/m0/s1.
What are the key properties of (3S,4R)-N-(furan-2-ylmethyl)-4-(phenylmethoxymethyl)hex-1-en-3-amine?
(3S,4R)-N-(furan-2-ylmethyl)-4-(phenylmethoxymethyl)hex-1-en-3-amine has a molecular weight of 299.41 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-(furan-2-ylmethyl)-4-(phenylmethoxymethyl)hex-1-en-3-amine is sourced from PubChem (CID 53376316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).