2-[3-[4-(cyclobutylidenemethyl)-2-methoxyphenoxy]propoxy]oxane;methanamine

C21H33NO4 — CID 143437489

IUPAC2-[3-[4-(cyclobutylidenemethyl)-2-methoxyphenoxy]propoxy]oxane;methanamine
SMILESCN.COc1cc(C=C2CCC2)ccc1OCCCOC1CCCCO1
InChIInChI=1S/C20H28O4.CH5N/c1-21-19-15-17(14-16-6-4-7-16)9-10-18(19)22-12-5-13-24-20-8-2-3-11-23-20;1-2/h9-10,14-15,20H,2-8,11-13H2,1H3;2H2,1H3
InChIKeyKMMXQCBUJLFFKB-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.15
Rot. Bonds8

About 2-[3-[4-(cyclobutylidenemethyl)-2-methoxyphenoxy]propoxy]oxane;methanamine

2-[3-[4-(cyclobutylidenemethyl)-2-methoxyphenoxy]propoxy]oxane;methanamine (PubChem CID 143437489) has the molecular formula C21H33NO4 and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-[3-[4-(cyclobutylidenemethyl)-2-methoxyphenoxy]propoxy]oxane;methanamine.

Molecular Properties

Compound Name2-[3-[4-(cyclobutylidenemethyl)-2-methoxyphenoxy]propoxy]oxane;methanamine
PubChem CID143437489
Molecular FormulaC21H33NO4
Molecular Weight363.50 g/mol
Exact Mass363.24
IUPAC Name2-[3-[4-(cyclobutylidenemethyl)-2-methoxyphenoxy]propoxy]oxane;methanamine
SMILESCN.COc1cc(C=C2CCC2)ccc1OCCCOC1CCCCO1
InChIInChI=1S/C20H28O4.CH5N/c1-21-19-15-17(14-16-6-4-7-16)9-10-18(19)22-12-5-13-24-20-8-2-3-11-23-20;1-2/h9-10,14-15,20H,2-8,11-13H2,1H3;2H2,1H3
InChIKeyKMMXQCBUJLFFKB-UHFFFAOYSA-N
XLogP4.15
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[3-(2-methoxyphenoxy)propoxy]oxane
CID 100761288
(2Z)-1-acetyl-2-[[3-methoxy-4-[2-(oxan-2-yloxy)ethoxy]phenyl]methylidene]indol-3-one
CID 177077658
4-(cyclohexylidenemethyl)-2-methoxy-1-prop-2-enoxybenzene
CID 135015384
2-[[3-methoxy-4-[2-(4-prop-2-enoxyphenoxy)ethoxy]phenyl]methoxy]oxane
CID 102211763
N-[3-(2-methoxyphenyl)prop-2-enyl]-3-(oxan-2-yloxy)propan-1-amine
CID 126823813
3-[4-[(2,6-difluorophenyl)methoxy]-3-[3-(oxan-2-yloxy)propoxy]phenyl]but-2-enamide
CID 70247952
2-[[3-methoxy-4-(1,1,2,2-tetradeuterio-2-iodoethoxy)phenyl]methoxy]oxane
CID 101144940
ethyl 2-[5-amino-2-[2-(oxan-2-yloxy)ethoxy]phenoxy]acetate
CID 59442440
2-[3-(2-methoxyethoxy)propoxy]oxane
CID 158704924
2-[(4-methoxy-3-methylphenyl)methoxy]oxane
CID 66596594
2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane
CID 46182882
(2S)-2-(3-chloropropoxy)oxane
CID 36690971

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(cyclobutylidenemethyl)-2-methoxyphenoxy]propoxy]oxane;methanamine?
The IUPAC name of 2-[3-[4-(cyclobutylidenemethyl)-2-methoxyphenoxy]propoxy]oxane;methanamine (CID 143437489) is 2-[3-[4-(cyclobutylidenemethyl)-2-methoxyphenoxy]propoxy]oxane;methanamine.
What is the SMILES notation for 2-[3-[4-(cyclobutylidenemethyl)-2-methoxyphenoxy]propoxy]oxane;methanamine?
The canonical SMILES for 2-[3-[4-(cyclobutylidenemethyl)-2-methoxyphenoxy]propoxy]oxane;methanamine is CN.COc1cc(C=C2CCC2)ccc1OCCCOC1CCCCO1.
What is the InChIKey of 2-[3-[4-(cyclobutylidenemethyl)-2-methoxyphenoxy]propoxy]oxane;methanamine?
The InChIKey is KMMXQCBUJLFFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O4.CH5N/c1-21-19-15-17(14-16-6-4-7-16)9-10-18(19)22-12-5-13-24-20-8-2-3-11-23-20;1-2/h9-10,14-15,20H,2-8,11-13H2,1H3;2H2,1H3.
What are the key properties of 2-[3-[4-(cyclobutylidenemethyl)-2-methoxyphenoxy]propoxy]oxane;methanamine?
2-[3-[4-(cyclobutylidenemethyl)-2-methoxyphenoxy]propoxy]oxane;methanamine has a molecular weight of 363.50 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(cyclobutylidenemethyl)-2-methoxyphenoxy]propoxy]oxane;methanamine is sourced from PubChem (CID 143437489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).