(5-butoxy-2-methylphenyl)methanimine

C12H17NO — CID 168997524

IUPAC(5-butoxy-2-methylphenyl)methanimine
SMILES[H]/N=C/c1cc(OCCCC)ccc1C
InChIInChI=1S/C12H17NO/c1-3-4-7-14-12-6-5-10(2)11(8-12)9-13/h5-6,8-9,13H,3-4,7H2,1-2H3/b13-9+
InChIKeyUGFLXFZJLNUKQV-UKTHLTGXSA-N
MW191.27 g/mol
LogP3.17
Rot. Bonds5

About (5-butoxy-2-methylphenyl)methanimine

(5-butoxy-2-methylphenyl)methanimine (PubChem CID 168997524) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (5-butoxy-2-methylphenyl)methanimine.

Molecular Properties

Compound Name(5-butoxy-2-methylphenyl)methanimine
PubChem CID168997524
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(5-butoxy-2-methylphenyl)methanimine
SMILES[H]/N=C/c1cc(OCCCC)ccc1C
InChIInChI=1S/C12H17NO/c1-3-4-7-14-12-6-5-10(2)11(8-12)9-13/h5-6,8-9,13H,3-4,7H2,1-2H3/b13-9+
InChIKeyUGFLXFZJLNUKQV-UKTHLTGXSA-N
XLogP3.17
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-2-bromoethenyl]-4-butoxy-1-methylbenzene
CID 121432647
5-butoxy-2-methylphenol
CID 59445644
1,3,5-tributoxybenzene
CID 15933337
3-methanimidoyl-4-methylaniline
CID 142987257
2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene
CID 129113813
4-butoxy-2,6-dimethylbenzenethiol
CID 91655340
1,2-dimethyl-4-propoxybenzene
CID 23549082
CID 68585474
CID 68585474
2-ethyl-4-hexoxy-1-methylbenzene
CID 143189460
4-butoxy-2-ethylbenzaldehyde
CID 89039391
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623

Frequently Asked Questions

What is the IUPAC name of (5-butoxy-2-methylphenyl)methanimine?
The IUPAC name of (5-butoxy-2-methylphenyl)methanimine (CID 168997524) is (5-butoxy-2-methylphenyl)methanimine.
What is the SMILES notation for (5-butoxy-2-methylphenyl)methanimine?
The canonical SMILES for (5-butoxy-2-methylphenyl)methanimine is [H]/N=C/c1cc(OCCCC)ccc1C.
What is the InChIKey of (5-butoxy-2-methylphenyl)methanimine?
The InChIKey is UGFLXFZJLNUKQV-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-4-7-14-12-6-5-10(2)11(8-12)9-13/h5-6,8-9,13H,3-4,7H2,1-2H3/b13-9+.
What are the key properties of (5-butoxy-2-methylphenyl)methanimine?
(5-butoxy-2-methylphenyl)methanimine has a molecular weight of 191.27 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butoxy-2-methylphenyl)methanimine is sourced from PubChem (CID 168997524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).