4-[1-cyclopropylethyl(methyl)amino]-3-methylbenzaldehyde

C14H19NO — CID 62120911

IUPAC4-[1-cyclopropylethyl(methyl)amino]-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1N(C)C(C)C1CC1
InChIInChI=1S/C14H19NO/c1-10-8-12(9-16)4-7-14(10)15(3)11(2)13-5-6-13/h4,7-9,11,13H,5-6H2,1-3H3
InChIKeyIGJXHZUJQPXKAD-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.04
Rot. Bonds4

About 4-[1-cyclopropylethyl(methyl)amino]-3-methylbenzaldehyde

4-[1-cyclopropylethyl(methyl)amino]-3-methylbenzaldehyde (PubChem CID 62120911) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-[1-cyclopropylethyl(methyl)amino]-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-[1-cyclopropylethyl(methyl)amino]-3-methylbenzaldehyde
PubChem CID62120911
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-[1-cyclopropylethyl(methyl)amino]-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1N(C)C(C)C1CC1
InChIInChI=1S/C14H19NO/c1-10-8-12(9-16)4-7-14(10)15(3)11(2)13-5-6-13/h4,7-9,11,13H,5-6H2,1-3H3
InChIKeyIGJXHZUJQPXKAD-UHFFFAOYSA-N
XLogP3.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropylethyl(methyl)amino]-3-methylbenzaldehyde?
The IUPAC name of 4-[1-cyclopropylethyl(methyl)amino]-3-methylbenzaldehyde (CID 62120911) is 4-[1-cyclopropylethyl(methyl)amino]-3-methylbenzaldehyde.
What is the SMILES notation for 4-[1-cyclopropylethyl(methyl)amino]-3-methylbenzaldehyde?
The canonical SMILES for 4-[1-cyclopropylethyl(methyl)amino]-3-methylbenzaldehyde is Cc1cc(C=O)ccc1N(C)C(C)C1CC1.
What is the InChIKey of 4-[1-cyclopropylethyl(methyl)amino]-3-methylbenzaldehyde?
The InChIKey is IGJXHZUJQPXKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-8-12(9-16)4-7-14(10)15(3)11(2)13-5-6-13/h4,7-9,11,13H,5-6H2,1-3H3.
What are the key properties of 4-[1-cyclopropylethyl(methyl)amino]-3-methylbenzaldehyde?
4-[1-cyclopropylethyl(methyl)amino]-3-methylbenzaldehyde has a molecular weight of 217.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropylethyl(methyl)amino]-3-methylbenzaldehyde is sourced from PubChem (CID 62120911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).