3-(3-amino-5-methylphenyl)benzaldehyde

C14H13NO — CID 165490031

IUPAC3-(3-amino-5-methylphenyl)benzaldehyde
SMILESCc1cc(N)cc(-c2cccc(C=O)c2)c1
InChIInChI=1S/C14H13NO/c1-10-5-13(8-14(15)6-10)12-4-2-3-11(7-12)9-16/h2-9H,15H2,1H3
InChIKeyBWWINFZCFFWBAW-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.06
Rot. Bonds2

About 3-(3-amino-5-methylphenyl)benzaldehyde

3-(3-amino-5-methylphenyl)benzaldehyde (PubChem CID 165490031) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(3-amino-5-methylphenyl)benzaldehyde.

Molecular Properties

Compound Name3-(3-amino-5-methylphenyl)benzaldehyde
PubChem CID165490031
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name3-(3-amino-5-methylphenyl)benzaldehyde
SMILESCc1cc(N)cc(-c2cccc(C=O)c2)c1
InChIInChI=1S/C14H13NO/c1-10-5-13(8-14(15)6-10)12-4-2-3-11(7-12)9-16/h2-9H,15H2,1H3
InChIKeyBWWINFZCFFWBAW-UHFFFAOYSA-N
XLogP3.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.06
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

3-(4-amino-2,6-dimethylphenyl)benzaldehyde
CID 143071394
3-(3,4-diaminophenyl)benzaldehyde
CID 154095647
1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene
CID 140841473
3-(3,5-dichlorophenyl)benzaldehyde
CID 2758152
methane;4-(3-methylphenyl)benzaldehyde
CID 143253676
3-methyl-5-(3-propan-2-yloxyphenyl)aniline
CID 107579616
benzaldehyde;oxophosphane;1,3,5-trimethylbenzene
CID 174455120
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
benzene-1,3-dicarbaldehyde;ethane
CID 91375977
3-(2-amino-5-methyl-1H-imidazol-4-yl)benzaldehyde
CID 105453451
3-(2-hydroxy-5-methylphenyl)benzaldehyde
CID 82039069
3-(3,4-dichlorophenyl)-5-methylaniline
CID 107579512

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-methylphenyl)benzaldehyde?
The IUPAC name of 3-(3-amino-5-methylphenyl)benzaldehyde (CID 165490031) is 3-(3-amino-5-methylphenyl)benzaldehyde.
What is the SMILES notation for 3-(3-amino-5-methylphenyl)benzaldehyde?
The canonical SMILES for 3-(3-amino-5-methylphenyl)benzaldehyde is Cc1cc(N)cc(-c2cccc(C=O)c2)c1.
What is the InChIKey of 3-(3-amino-5-methylphenyl)benzaldehyde?
The InChIKey is BWWINFZCFFWBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-10-5-13(8-14(15)6-10)12-4-2-3-11(7-12)9-16/h2-9H,15H2,1H3.
What are the key properties of 3-(3-amino-5-methylphenyl)benzaldehyde?
3-(3-amino-5-methylphenyl)benzaldehyde has a molecular weight of 211.26 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-methylphenyl)benzaldehyde is sourced from PubChem (CID 165490031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).