N-[2-(6-methoxy-4-phenylmethoxyoxan-2-yl)ethyl]propan-2-imine

C18H27NO3 — CID 123501714

IUPACN-[2-(6-methoxy-4-phenylmethoxyoxan-2-yl)ethyl]propan-2-imine
SMILESCOC1CC(OCc2ccccc2)CC(CCN=C(C)C)O1
InChIInChI=1S/C18H27NO3/c1-14(2)19-10-9-16-11-17(12-18(20-3)22-16)21-13-15-7-5-4-6-8-15/h4-8,16-18H,9-13H2,1-3H3
InChIKeyWLBPTMYTSLENBZ-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.59
Rot. Bonds7

About N-[2-(6-methoxy-4-phenylmethoxyoxan-2-yl)ethyl]propan-2-imine

N-[2-(6-methoxy-4-phenylmethoxyoxan-2-yl)ethyl]propan-2-imine (PubChem CID 123501714) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[2-(6-methoxy-4-phenylmethoxyoxan-2-yl)ethyl]propan-2-imine.

Molecular Properties

Compound NameN-[2-(6-methoxy-4-phenylmethoxyoxan-2-yl)ethyl]propan-2-imine
PubChem CID123501714
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[2-(6-methoxy-4-phenylmethoxyoxan-2-yl)ethyl]propan-2-imine
SMILESCOC1CC(OCc2ccccc2)CC(CCN=C(C)C)O1
InChIInChI=1S/C18H27NO3/c1-14(2)19-10-9-16-11-17(12-18(20-3)22-16)21-13-15-7-5-4-6-8-15/h4-8,16-18H,9-13H2,1-3H3
InChIKeyWLBPTMYTSLENBZ-UHFFFAOYSA-N
XLogP3.59
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine
CID 53304505
cis-rac-2-(2-Phenyl-1,3-dioxan-4-yl)-ethan-1-amine
CID 53306707
cis-rac-N,N-Dimethyl-2-(2-phenyl-1,3-dioxan-4-yl)ethan-1-amine
CID 53304341
cis-N,N-Dimethyl-3-(2-phenyl-1,3-dioxan-4-yl)propan-1-amine
CID 53304510
2-(2-Phenyl-1,3-dioxan-4-yl)ethanamine
CID 71453465
2-[(2R,4S)-2-phenyl-1,3-dioxan-4-yl]ethanamine
CID 71456971
2-methyl-(2-acetamido-4-O-acetyl-6-O-benzyl-3-O-(2-butenyl)-1,2-dideoxy alpha-D-glucopyrano)(2,1-d)-2-oxazoline
CID 6444054
2-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]ethanamine
CID 50993168
2-[(5S,6S)-5-azido-6-phenylmethoxyoctoxy]oxane
CID 52916436
(3aR,5R,6S,7R,7aR)-2-methyl-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazole
CID 134878554
2-methyl-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazole
CID 134999591
(3aR,6S)-2-methyl-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazole
CID 135015294

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-4-phenylmethoxyoxan-2-yl)ethyl]propan-2-imine?
The IUPAC name of N-[2-(6-methoxy-4-phenylmethoxyoxan-2-yl)ethyl]propan-2-imine (CID 123501714) is N-[2-(6-methoxy-4-phenylmethoxyoxan-2-yl)ethyl]propan-2-imine.
What is the SMILES notation for N-[2-(6-methoxy-4-phenylmethoxyoxan-2-yl)ethyl]propan-2-imine?
The canonical SMILES for N-[2-(6-methoxy-4-phenylmethoxyoxan-2-yl)ethyl]propan-2-imine is COC1CC(OCc2ccccc2)CC(CCN=C(C)C)O1.
What is the InChIKey of N-[2-(6-methoxy-4-phenylmethoxyoxan-2-yl)ethyl]propan-2-imine?
The InChIKey is WLBPTMYTSLENBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-14(2)19-10-9-16-11-17(12-18(20-3)22-16)21-13-15-7-5-4-6-8-15/h4-8,16-18H,9-13H2,1-3H3.
What are the key properties of N-[2-(6-methoxy-4-phenylmethoxyoxan-2-yl)ethyl]propan-2-imine?
N-[2-(6-methoxy-4-phenylmethoxyoxan-2-yl)ethyl]propan-2-imine has a molecular weight of 305.42 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-4-phenylmethoxyoxan-2-yl)ethyl]propan-2-imine is sourced from PubChem (CID 123501714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).