4-amino-3-methylbenzaldehyde;butane;ethane

C14H25NO — CID 143664770

IUPAC4-amino-3-methylbenzaldehyde;butane;ethane
SMILESCC.CCCC.Cc1cc(C=O)ccc1N
InChIInChI=1S/C8H9NO.C4H10.C2H6/c1-6-4-7(5-10)2-3-8(6)9;1-3-4-2;1-2/h2-5H,9H2,1H3;3-4H2,1-2H3;1-2H3
InChIKeyLFLMHZBPHBOPAA-UHFFFAOYSA-N
MW223.36 g/mol
LogP4.22
Rot. Bonds2

About 4-amino-3-methylbenzaldehyde;butane;ethane

4-amino-3-methylbenzaldehyde;butane;ethane (PubChem CID 143664770) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-amino-3-methylbenzaldehyde;butane;ethane.

Molecular Properties

Compound Name4-amino-3-methylbenzaldehyde;butane;ethane
PubChem CID143664770
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-amino-3-methylbenzaldehyde;butane;ethane
SMILESCC.CCCC.Cc1cc(C=O)ccc1N
InChIInChI=1S/C8H9NO.C4H10.C2H6/c1-6-4-7(5-10)2-3-8(6)9;1-3-4-2;1-2/h2-5H,9H2,1H3;3-4H2,1-2H3;1-2H3
InChIKeyLFLMHZBPHBOPAA-UHFFFAOYSA-N
XLogP4.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methylbenzaldehyde;3,4-dimethylbenzaldehyde
CID 161093718
4-(bromomethyl)-3-methylbenzaldehyde
CID 134217544
(E)-4-(4-amino-3-methylphenyl)but-3-en-2-one
CID 155030375
3-amino-4-(3-bromopropylamino)benzaldehyde
CID 126500142
CID 142080212
CID 142080212
N-(4-formyl-2-methylphenyl)formamide
CID 144615218
3-amino-4-chloro-5-methylbenzaldehyde
CID 145380642
N-(4-formyl-2-methylphenyl)dodecanamide
CID 54174472
4-[3-ethyl-1-(methylamino)hexan-3-yl]-3-methylbenzaldehyde
CID 138614378
3-butoxy-4-methylbenzaldehyde
CID 91636264
4-[2-hydroxyethyl(propyl)amino]-3-methylbenzaldehyde
CID 62121260
4-amino-3-[2-(2-amino-5-methylphenoxy)ethenoxy]benzaldehyde
CID 152745146

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methylbenzaldehyde;butane;ethane?
The IUPAC name of 4-amino-3-methylbenzaldehyde;butane;ethane (CID 143664770) is 4-amino-3-methylbenzaldehyde;butane;ethane.
What is the SMILES notation for 4-amino-3-methylbenzaldehyde;butane;ethane?
The canonical SMILES for 4-amino-3-methylbenzaldehyde;butane;ethane is CC.CCCC.Cc1cc(C=O)ccc1N.
What is the InChIKey of 4-amino-3-methylbenzaldehyde;butane;ethane?
The InChIKey is LFLMHZBPHBOPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C4H10.C2H6/c1-6-4-7(5-10)2-3-8(6)9;1-3-4-2;1-2/h2-5H,9H2,1H3;3-4H2,1-2H3;1-2H3.
What are the key properties of 4-amino-3-methylbenzaldehyde;butane;ethane?
4-amino-3-methylbenzaldehyde;butane;ethane has a molecular weight of 223.36 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methylbenzaldehyde;butane;ethane is sourced from PubChem (CID 143664770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).