1-(4-methoxyphenyl)-N-methylmethanimine;propane

C12H19NO — CID 142550008

IUPAC1-(4-methoxyphenyl)-N-methylmethanimine;propane
SMILESC/N=C/c1ccc(OC)cc1.CCC
InChIInChI=1S/C9H11NO.C3H8/c1-10-7-8-3-5-9(11-2)6-4-8;1-3-2/h3-7H,1-2H3;3H2,1-2H3/b10-7+;
InChIKeyOJYHYDYELUAVSO-HCUGZAAXSA-N
MW193.29 g/mol
LogP3.16
Rot. Bonds2

About 1-(4-methoxyphenyl)-N-methylmethanimine;propane

1-(4-methoxyphenyl)-N-methylmethanimine;propane (PubChem CID 142550008) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methylmethanimine;propane.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methylmethanimine;propane
PubChem CID142550008
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(4-methoxyphenyl)-N-methylmethanimine;propane
SMILESC/N=C/c1ccc(OC)cc1.CCC
InChIInChI=1S/C9H11NO.C3H8/c1-10-7-8-3-5-9(11-2)6-4-8;1-3-2/h3-7H,1-2H3;3H2,1-2H3/b10-7+;
InChIKeyOJYHYDYELUAVSO-HCUGZAAXSA-N
XLogP3.16
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(4-methoxyphenyl)methanimine
CID 12927006
1-(4-methoxyphenyl)-N-triethylsilylmethanimine
CID 122380757
N-methoxy-1-(4-methoxyphenyl)methanimine
CID 520640
(Z)-1-(4-methoxyphenyl)-N-oxidomethanimine
CID 11389669
1-(4-methoxyphenyl)-N-prop-2-enylmethanimine
CID 11052170
N-hexadecyl-1-(4-methoxyphenyl)methanimine
CID 102417152
[4-[4-(methyliminomethyl)phenoxy]phosphanyloxyphenyl]methanimine
CID 143933283
1-(4-methoxyphenyl)-N-prop-1-enylmethanimine
CID 73167475
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-(4-methoxyphenyl)-N-(4-propoxyphenyl)methanimine
CID 71354195
(E)-N-(1-methoxyethyl)-1-(4-methoxyphenyl)methanimine
CID 10465201
1-methoxy-4-methylbenzene;propane
CID 142064987

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methylmethanimine;propane?
The IUPAC name of 1-(4-methoxyphenyl)-N-methylmethanimine;propane (CID 142550008) is 1-(4-methoxyphenyl)-N-methylmethanimine;propane.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methylmethanimine;propane?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methylmethanimine;propane is C/N=C/c1ccc(OC)cc1.CCC.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methylmethanimine;propane?
The InChIKey is OJYHYDYELUAVSO-HCUGZAAXSA-N. The full InChI is InChI=1S/C9H11NO.C3H8/c1-10-7-8-3-5-9(11-2)6-4-8;1-3-2/h3-7H,1-2H3;3H2,1-2H3/b10-7+;.
What are the key properties of 1-(4-methoxyphenyl)-N-methylmethanimine;propane?
1-(4-methoxyphenyl)-N-methylmethanimine;propane has a molecular weight of 193.29 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methylmethanimine;propane is sourced from PubChem (CID 142550008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).