N-(furan-2-ylmethyl)-2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine

C22H31NO3 — CID 7082816

IUPACN-(furan-2-ylmethyl)-2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine
SMILESCOc1ccccc1[C@@]1(CCNCc2ccco2)CCO[C@@H](C(C)C)C1
InChIInChI=1S/C22H31NO3/c1-17(2)21-15-22(11-14-26-21,19-8-4-5-9-20(19)24-3)10-12-23-16-18-7-6-13-25-18/h4-9,13,17,21,23H,10-12,14-16H2,1-3H3/t21-,22+/m1/s1
InChIKeyRRBSQXXIPSHAEE-YADHBBJMSA-N
MW357.49 g/mol
LogP4.54
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine

N-(furan-2-ylmethyl)-2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine (PubChem CID 7082816) has the molecular formula C22H31NO3 and a molecular weight of 357.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine
PubChem CID7082816
Molecular FormulaC22H31NO3
Molecular Weight357.49 g/mol
Exact Mass357.23
IUPAC NameN-(furan-2-ylmethyl)-2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine
SMILESCOc1ccccc1[C@@]1(CCNCc2ccco2)CCO[C@@H](C(C)C)C1
InChIInChI=1S/C22H31NO3/c1-17(2)21-15-22(11-14-26-21,19-8-4-5-9-20(19)24-3)10-12-23-16-18-7-6-13-25-18/h4-9,13,17,21,23H,10-12,14-16H2,1-3H3/t21-,22+/m1/s1
InChIKeyRRBSQXXIPSHAEE-YADHBBJMSA-N
XLogP4.54
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine
CID 7460939
2-[(2S,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine
CID 906865
2-[(2S,4S)-4-benzyl-2-propan-2-yloxan-4-yl]-N-(furan-2-ylmethyl)ethanamine
CID 40917194
N-(furan-2-ylmethyl)-2-[(2R,6R)-4-phenyl-2,6-di(propan-2-yl)oxan-4-yl]ethanamine
CID 125433258
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]azanium
CID 7460579
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(2S,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]azanium
CID 7460581
(3,4-dimethoxyphenyl)methyl-[2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]azanium
CID 7639709
(3,4-dimethoxyphenyl)methyl-[2-[(2S,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]azanium
CID 7639707
N,N-diethyl-2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]acetamide
CID 3758231
furan-2-ylmethyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]azanium
CID 6995808
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]furan-2-carboxamide
CID 25426945
N-benzyl-N-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide
CID 7082892

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine (CID 7082816) is N-(furan-2-ylmethyl)-2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine is COc1ccccc1[C@@]1(CCNCc2ccco2)CCO[C@@H](C(C)C)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine?
The InChIKey is RRBSQXXIPSHAEE-YADHBBJMSA-N. The full InChI is InChI=1S/C22H31NO3/c1-17(2)21-15-22(11-14-26-21,19-8-4-5-9-20(19)24-3)10-12-23-16-18-7-6-13-25-18/h4-9,13,17,21,23H,10-12,14-16H2,1-3H3/t21-,22+/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine?
N-(furan-2-ylmethyl)-2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine has a molecular weight of 357.49 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine is sourced from PubChem (CID 7082816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).