3-(ethylaminomethyl)benzaldehyde

C10H13NO — CID 90105279

IUPAC3-(ethylaminomethyl)benzaldehyde
SMILESCCNCc1cccc(C=O)c1
InChIInChI=1S/C10H13NO/c1-2-11-7-9-4-3-5-10(6-9)8-12/h3-6,8,11H,2,7H2,1H3
InChIKeySEJQOPYCKIVJLO-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.61
Rot. Bonds4

About 3-(ethylaminomethyl)benzaldehyde

3-(ethylaminomethyl)benzaldehyde (PubChem CID 90105279) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-(ethylaminomethyl)benzaldehyde.

Molecular Properties

Compound Name3-(ethylaminomethyl)benzaldehyde
PubChem CID90105279
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-(ethylaminomethyl)benzaldehyde
SMILESCCNCc1cccc(C=O)c1
InChIInChI=1S/C10H13NO/c1-2-11-7-9-4-3-5-10(6-9)8-12/h3-6,8,11H,2,7H2,1H3
InChIKeySEJQOPYCKIVJLO-UHFFFAOYSA-N
XLogP1.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzaldehyde;N-benzylethanamine
CID 22227487
3-(methylaminomethyl)benzaldehyde
CID 20724862
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
4-(ethylaminomethyl)benzaldehyde
CID 87956656
4-[3-(ethylaminomethyl)phenyl]but-3-ene-1-thiol
CID 170478713
3-(anilinomethyl)benzaldehyde
CID 87371298
ethyl 4-[3-(ethylaminomethyl)phenyl]but-3-enoate
CID 170796522
(2S)-2-chloro-N-[(3-formylphenyl)methyl]propanamide
CID 125457023
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553
N-ethylethanamine;3-fluorobenzaldehyde
CID 18958425
3-(2-oxoethyl)benzaldehyde
CID 54321672
3-[2-(3,5-dipropylphenyl)ethyl]benzaldehyde;[3-[2-(3,5-dipropylphenyl)ethyl]phenyl]methanol
CID 157231949

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)benzaldehyde?
The IUPAC name of 3-(ethylaminomethyl)benzaldehyde (CID 90105279) is 3-(ethylaminomethyl)benzaldehyde.
What is the SMILES notation for 3-(ethylaminomethyl)benzaldehyde?
The canonical SMILES for 3-(ethylaminomethyl)benzaldehyde is CCNCc1cccc(C=O)c1.
What is the InChIKey of 3-(ethylaminomethyl)benzaldehyde?
The InChIKey is SEJQOPYCKIVJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-11-7-9-4-3-5-10(6-9)8-12/h3-6,8,11H,2,7H2,1H3.
What are the key properties of 3-(ethylaminomethyl)benzaldehyde?
3-(ethylaminomethyl)benzaldehyde has a molecular weight of 163.22 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)benzaldehyde is sourced from PubChem (CID 90105279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).