5-(1-aminoethyl)-2-methoxybenzaldehyde

C10H13NO2 — CID 105438045

IUPAC5-(1-aminoethyl)-2-methoxybenzaldehyde
SMILESCOc1ccc(C(C)N)cc1C=O
InChIInChI=1S/C10H13NO2/c1-7(11)8-3-4-10(13-2)9(5-8)6-12/h3-7H,11H2,1-2H3
InChIKeyISYICDBBTGOSAJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.53
Rot. Bonds3

About 5-(1-aminoethyl)-2-methoxybenzaldehyde

5-(1-aminoethyl)-2-methoxybenzaldehyde (PubChem CID 105438045) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-(1-aminoethyl)-2-methoxybenzaldehyde.

Molecular Properties

Compound Name5-(1-aminoethyl)-2-methoxybenzaldehyde
PubChem CID105438045
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name5-(1-aminoethyl)-2-methoxybenzaldehyde
SMILESCOc1ccc(C(C)N)cc1C=O
InChIInChI=1S/C10H13NO2/c1-7(11)8-3-4-10(13-2)9(5-8)6-12/h3-7H,11H2,1-2H3
InChIKeyISYICDBBTGOSAJ-UHFFFAOYSA-N
XLogP1.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde
CID 117298695
5-benzhydryl-2-methoxybenzaldehyde
CID 134942077
5-[1-(diethylamino)ethyl]-2-methoxybenzaldehyde
CID 105496652
5-(1-aminoethyl)-2-hydroxybenzaldehyde
CID 105432657
5-[1-(1,3-dioxolan-2-yl)ethyl]-2-methoxybenzaldehyde
CID 10466628
5-[(1S)-1-aminoethyl]-2-methoxyphenol
CID 55253033
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
(1S)-1-(3-iodo-4-methoxyphenyl)ethanamine
CID 130647745
(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine
CID 30078360
5-(1-aminoethyl)-2-methoxybenzoic acid
CID 105448790

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-2-methoxybenzaldehyde?
The IUPAC name of 5-(1-aminoethyl)-2-methoxybenzaldehyde (CID 105438045) is 5-(1-aminoethyl)-2-methoxybenzaldehyde.
What is the SMILES notation for 5-(1-aminoethyl)-2-methoxybenzaldehyde?
The canonical SMILES for 5-(1-aminoethyl)-2-methoxybenzaldehyde is COc1ccc(C(C)N)cc1C=O.
What is the InChIKey of 5-(1-aminoethyl)-2-methoxybenzaldehyde?
The InChIKey is ISYICDBBTGOSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(11)8-3-4-10(13-2)9(5-8)6-12/h3-7H,11H2,1-2H3.
What are the key properties of 5-(1-aminoethyl)-2-methoxybenzaldehyde?
5-(1-aminoethyl)-2-methoxybenzaldehyde has a molecular weight of 179.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-2-methoxybenzaldehyde is sourced from PubChem (CID 105438045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).