butan-2-imine;4-(cyclopropylmethoxy)-1-fluoro-2-(propoxymethyl)benzene;ethane;methoxyethane;methoxymethane

C25H48FNO4 — CID 145351179

IUPACbutan-2-imine;4-(cyclopropylmethoxy)-1-fluoro-2-(propoxymethyl)benzene;ethane;methoxyethane;methoxymethane
SMILESCC.CCCOCc1cc(OCC2CC2)ccc1F.CCOC.COC.[H]/N=C(\C)CC
InChIInChI=1S/C14H19FO2.C4H9N.C3H8O.C2H6O.C2H6/c1-2-7-16-10-12-8-13(5-6-14(12)15)17-9-11-3-4-11;1-3-4(2)5;1-3-4-2;1-3-2;1-2/h5-6,8,11H,2-4,7,9-10H2,1H3;5H,3H2,1-2H3;3H2,1-2H3;1-2H3;1-2H3/b;5-4+;;;
InChIKeyKRXUDBXDQKQUKL-DBONNTBUSA-N
MW445.66 g/mol
LogP6.92
Rot. Bonds9

About butan-2-imine;4-(cyclopropylmethoxy)-1-fluoro-2-(propoxymethyl)benzene;ethane;methoxyethane;methoxymethane

butan-2-imine;4-(cyclopropylmethoxy)-1-fluoro-2-(propoxymethyl)benzene;ethane;methoxyethane;methoxymethane (PubChem CID 145351179) has the molecular formula C25H48FNO4 and a molecular weight of 445.66 g/mol. Its IUPAC name is butan-2-imine;4-(cyclopropylmethoxy)-1-fluoro-2-(propoxymethyl)benzene;ethane;methoxyethane;methoxymethane.

Molecular Properties

Compound Namebutan-2-imine;4-(cyclopropylmethoxy)-1-fluoro-2-(propoxymethyl)benzene;ethane;methoxyethane;methoxymethane
PubChem CID145351179
Molecular FormulaC25H48FNO4
Molecular Weight445.66 g/mol
Exact Mass445.36
IUPAC Namebutan-2-imine;4-(cyclopropylmethoxy)-1-fluoro-2-(propoxymethyl)benzene;ethane;methoxyethane;methoxymethane
SMILESCC.CCCOCc1cc(OCC2CC2)ccc1F.CCOC.COC.[H]/N=C(\C)CC
InChIInChI=1S/C14H19FO2.C4H9N.C3H8O.C2H6O.C2H6/c1-2-7-16-10-12-8-13(5-6-14(12)15)17-9-11-3-4-11;1-3-4(2)5;1-3-4-2;1-3-2;1-2/h5-6,8,11H,2-4,7,9-10H2,1H3;5H,3H2,1-2H3;3H2,1-2H3;1-2H3;1-2H3/b;5-4+;;;
InChIKeyKRXUDBXDQKQUKL-DBONNTBUSA-N
XLogP6.92
TPSA60.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.66
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze butan-2-imine;4-(cyclopropylmethoxy)-1-fluoro-2-(propoxymethyl)benzene;ethane;methoxyethane;methoxymethane with MolForge

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Launch Full Analysis

Related Compounds

butan-2-imine;4-(cyclopropylmethoxy)-1-fluoro-2-(propoxymethyl)benzene;ethane;methoxyethane
CID 145351203
2-[[5-(cyclopropylmethoxy)-2-fluorophenyl]methylsulfonyl]-2-methylpentan-3-imine;ethane;methoxyethane
CID 145351132
4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane
CID 142580919
2-[[5-(cyclopropylmethoxy)-2-fluorophenyl]methylsulfonyl]-2-methylpentan-3-imine;ethane;2-methoxypropane
CID 145351119
[4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol
CID 139623977
2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene
CID 130693986
2-[[5-(cyclopropylmethoxy)-2-(fluoromethyl)phenyl]methylsulfonyl]-2-methylpentan-3-imine
CID 145351112
(E)-N-butylsulfanyl-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethanimine
CID 145227538
4-fluoro-3-(2-propoxyethoxymethyl)benzenecarbothioamide
CID 55232851
N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine
CID 107457168
[4-(cyclopentylmethoxy)-2-fluorophenyl]boronic acid
CID 65203320
(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol
CID 157299159

Frequently Asked Questions

What is the IUPAC name of butan-2-imine;4-(cyclopropylmethoxy)-1-fluoro-2-(propoxymethyl)benzene;ethane;methoxyethane;methoxymethane?
The IUPAC name of butan-2-imine;4-(cyclopropylmethoxy)-1-fluoro-2-(propoxymethyl)benzene;ethane;methoxyethane;methoxymethane (CID 145351179) is butan-2-imine;4-(cyclopropylmethoxy)-1-fluoro-2-(propoxymethyl)benzene;ethane;methoxyethane;methoxymethane.
What is the SMILES notation for butan-2-imine;4-(cyclopropylmethoxy)-1-fluoro-2-(propoxymethyl)benzene;ethane;methoxyethane;methoxymethane?
The canonical SMILES for butan-2-imine;4-(cyclopropylmethoxy)-1-fluoro-2-(propoxymethyl)benzene;ethane;methoxyethane;methoxymethane is CC.CCCOCc1cc(OCC2CC2)ccc1F.CCOC.COC.[H]/N=C(\C)CC.
What is the InChIKey of butan-2-imine;4-(cyclopropylmethoxy)-1-fluoro-2-(propoxymethyl)benzene;ethane;methoxyethane;methoxymethane?
The InChIKey is KRXUDBXDQKQUKL-DBONNTBUSA-N. The full InChI is InChI=1S/C14H19FO2.C4H9N.C3H8O.C2H6O.C2H6/c1-2-7-16-10-12-8-13(5-6-14(12)15)17-9-11-3-4-11;1-3-4(2)5;1-3-4-2;1-3-2;1-2/h5-6,8,11H,2-4,7,9-10H2,1H3;5H,3H2,1-2H3;3H2,1-2H3;1-2H3;1-2H3/b;5-4+;;;.
What are the key properties of butan-2-imine;4-(cyclopropylmethoxy)-1-fluoro-2-(propoxymethyl)benzene;ethane;methoxyethane;methoxymethane?
butan-2-imine;4-(cyclopropylmethoxy)-1-fluoro-2-(propoxymethyl)benzene;ethane;methoxyethane;methoxymethane has a molecular weight of 445.66 g/mol, XLogP of 6.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-imine;4-(cyclopropylmethoxy)-1-fluoro-2-(propoxymethyl)benzene;ethane;methoxyethane;methoxymethane is sourced from PubChem (CID 145351179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).