N-methyl-1-(2-methyl-3-propoxyphenyl)methanimine

C12H17NO — CID 162436192

IUPACN-methyl-1-(2-methyl-3-propoxyphenyl)methanimine
SMILESCCCOc1cccc(/C=N/C)c1C
InChIInChI=1S/C12H17NO/c1-4-8-14-12-7-5-6-11(9-13-3)10(12)2/h5-7,9H,4,8H2,1-3H3/b13-9+
InChIKeyCSKGHYNHNZZXOZ-UKTHLTGXSA-N
MW191.27 g/mol
LogP2.83
Rot. Bonds4

About N-methyl-1-(2-methyl-3-propoxyphenyl)methanimine

N-methyl-1-(2-methyl-3-propoxyphenyl)methanimine (PubChem CID 162436192) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-3-propoxyphenyl)methanimine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-3-propoxyphenyl)methanimine
PubChem CID162436192
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-methyl-1-(2-methyl-3-propoxyphenyl)methanimine
SMILESCCCOc1cccc(/C=N/C)c1C
InChIInChI=1S/C12H17NO/c1-4-8-14-12-7-5-6-11(9-13-3)10(12)2/h5-7,9H,4,8H2,1-3H3/b13-9+
InChIKeyCSKGHYNHNZZXOZ-UKTHLTGXSA-N
XLogP2.83
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.83
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

2-methyl-3-propoxyaniline
CID 23134606
1-(2-propoxyphenyl)-N-[2-[(2-propoxyphenyl)methylideneamino]ethyl]methanimine
CID 67897520
1,3-dibutoxy-2-methylbenzene
CID 14475066
ethane;N-methyl-1-[2-[[2-(methyliminomethyl)phenoxy]methoxy]phenyl]methanimine
CID 159320908
ethane;1-prop-1-enyl-2-propoxybenzene
CID 91525443
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
1-[(E)-but-1-enyl]-2-propoxybenzene;methane
CID 159219180
2-methyl-3-(methyliminomethyl)benzaldehyde
CID 169204727
2-methoxy-3-pentoxybenzaldehyde
CID 82161467
2-chloro-1-methyl-3-propoxybenzene
CID 118269413
N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110504984
2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 20985626

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-3-propoxyphenyl)methanimine?
The IUPAC name of N-methyl-1-(2-methyl-3-propoxyphenyl)methanimine (CID 162436192) is N-methyl-1-(2-methyl-3-propoxyphenyl)methanimine.
What is the SMILES notation for N-methyl-1-(2-methyl-3-propoxyphenyl)methanimine?
The canonical SMILES for N-methyl-1-(2-methyl-3-propoxyphenyl)methanimine is CCCOc1cccc(/C=N/C)c1C.
What is the InChIKey of N-methyl-1-(2-methyl-3-propoxyphenyl)methanimine?
The InChIKey is CSKGHYNHNZZXOZ-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-8-14-12-7-5-6-11(9-13-3)10(12)2/h5-7,9H,4,8H2,1-3H3/b13-9+.
What are the key properties of N-methyl-1-(2-methyl-3-propoxyphenyl)methanimine?
N-methyl-1-(2-methyl-3-propoxyphenyl)methanimine has a molecular weight of 191.27 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-3-propoxyphenyl)methanimine is sourced from PubChem (CID 162436192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).