N-(furan-2-ylmethyl)-2-[(2R,6R)-4-phenyl-2,6-di(propan-2-yl)oxan-4-yl]ethanamine

C24H35NO2 — CID 125433258

IUPACN-(furan-2-ylmethyl)-2-[(2R,6R)-4-phenyl-2,6-di(propan-2-yl)oxan-4-yl]ethanamine
SMILESCC(C)[C@H]1CC(CCNCc2ccco2)(c2ccccc2)C[C@H](C(C)C)O1
InChIInChI=1S/C24H35NO2/c1-18(2)22-15-24(16-23(27-22)19(3)4,20-9-6-5-7-10-20)12-13-25-17-21-11-8-14-26-21/h5-11,14,18-19,22-23,25H,12-13,15-17H2,1-4H3/t22-,23-/m1/s1
InChIKeyFGZGVDGPFLBUDF-DHIUTWEWSA-N
MW369.55 g/mol
LogP5.56
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-[(2R,6R)-4-phenyl-2,6-di(propan-2-yl)oxan-4-yl]ethanamine

N-(furan-2-ylmethyl)-2-[(2R,6R)-4-phenyl-2,6-di(propan-2-yl)oxan-4-yl]ethanamine (PubChem CID 125433258) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(2R,6R)-4-phenyl-2,6-di(propan-2-yl)oxan-4-yl]ethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(2R,6R)-4-phenyl-2,6-di(propan-2-yl)oxan-4-yl]ethanamine
PubChem CID125433258
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC NameN-(furan-2-ylmethyl)-2-[(2R,6R)-4-phenyl-2,6-di(propan-2-yl)oxan-4-yl]ethanamine
SMILESCC(C)[C@H]1CC(CCNCc2ccco2)(c2ccccc2)C[C@H](C(C)C)O1
InChIInChI=1S/C24H35NO2/c1-18(2)22-15-24(16-23(27-22)19(3)4,20-9-6-5-7-10-20)12-13-25-17-21-11-8-14-26-21/h5-11,14,18-19,22-23,25H,12-13,15-17H2,1-4H3/t22-,23-/m1/s1
InChIKeyFGZGVDGPFLBUDF-DHIUTWEWSA-N
XLogP5.56
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(furan-2-ylmethyl)-2-[(2R,6R)-4-phenyl-2,6-di(propan-2-yl)oxan-4-yl]ethanamine with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine
CID 7082816
2-[(2S,4S)-4-benzyl-2-propan-2-yloxan-4-yl]-N-(furan-2-ylmethyl)ethanamine
CID 40917194
N-[(2-fluorophenyl)methyl]-2-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethanamine
CID 7122733
furan-2-ylmethyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]azanium
CID 6995808
(3S)-1-N-(furan-2-ylmethyl)butane-1,3-diamine
CID 66594455
N-(furan-2-ylmethyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54809598
1-[2-(furan-2-ylmethylamino)ethyl]cyclohexan-1-amine
CID 64679316
N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54806819
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
N'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine
CID 79001737
3-(furan-2-ylmethylamino)propane-1-sulfinate
CID 174965777
5-(furan-2-ylmethylamino)pentan-2-ol
CID 79200814

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(2R,6R)-4-phenyl-2,6-di(propan-2-yl)oxan-4-yl]ethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(2R,6R)-4-phenyl-2,6-di(propan-2-yl)oxan-4-yl]ethanamine (CID 125433258) is N-(furan-2-ylmethyl)-2-[(2R,6R)-4-phenyl-2,6-di(propan-2-yl)oxan-4-yl]ethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(2R,6R)-4-phenyl-2,6-di(propan-2-yl)oxan-4-yl]ethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(2R,6R)-4-phenyl-2,6-di(propan-2-yl)oxan-4-yl]ethanamine is CC(C)[C@H]1CC(CCNCc2ccco2)(c2ccccc2)C[C@H](C(C)C)O1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(2R,6R)-4-phenyl-2,6-di(propan-2-yl)oxan-4-yl]ethanamine?
The InChIKey is FGZGVDGPFLBUDF-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H35NO2/c1-18(2)22-15-24(16-23(27-22)19(3)4,20-9-6-5-7-10-20)12-13-25-17-21-11-8-14-26-21/h5-11,14,18-19,22-23,25H,12-13,15-17H2,1-4H3/t22-,23-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-2-[(2R,6R)-4-phenyl-2,6-di(propan-2-yl)oxan-4-yl]ethanamine?
N-(furan-2-ylmethyl)-2-[(2R,6R)-4-phenyl-2,6-di(propan-2-yl)oxan-4-yl]ethanamine has a molecular weight of 369.55 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(2R,6R)-4-phenyl-2,6-di(propan-2-yl)oxan-4-yl]ethanamine is sourced from PubChem (CID 125433258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).