5-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carbaldehyde

C15H17NO2 — CID 169332974

IUPAC5-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carbaldehyde
SMILESCC(C)NCc1ccc(-c2ccc(C=O)o2)cc1
InChIInChI=1S/C15H17NO2/c1-11(2)16-9-12-3-5-13(6-4-12)15-8-7-14(10-17)18-15/h3-8,10-11,16H,9H2,1-2H3
InChIKeyGXVMYTSOGZFFNI-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.26
Rot. Bonds5

About 5-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carbaldehyde

5-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carbaldehyde (PubChem CID 169332974) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carbaldehyde
PubChem CID169332974
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name5-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carbaldehyde
SMILESCC(C)NCc1ccc(-c2ccc(C=O)o2)cc1
InChIInChI=1S/C15H17NO2/c1-11(2)16-9-12-3-5-13(6-4-12)15-8-7-14(10-17)18-15/h3-8,10-11,16H,9H2,1-2H3
InChIKeyGXVMYTSOGZFFNI-UHFFFAOYSA-N
XLogP3.26
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.26
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-(4-ethylphenyl)furan-2-carbaldehyde;methanol
CID 142207596
5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
5-(4-tert-butylphenyl)furan-2-carbaldehyde
CID 22566716
N-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106888608
N-cyclohexyl-2-[4-(5-formylfuran-2-yl)phenyl]acetamide
CID 169333438
5-(4-sulfanylphenyl)furan-2-carbaldehyde
CID 169336212
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
5-(4-methylsulfanylphenyl)furan-2-carbaldehyde
CID 4674822
5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde
CID 169334900
propan-2-yl 4-(5-formylfuran-2-yl)benzoate
CID 17274103
propan-2-yl 4-[4-(5-formylfuran-2-yl)phenyl]benzoate
CID 169333865
N-[[5-(4-butylphenyl)furan-2-yl]methyl]propan-2-amine
CID 43624940

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carbaldehyde (CID 169332974) is 5-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carbaldehyde is CC(C)NCc1ccc(-c2ccc(C=O)o2)cc1.
What is the InChIKey of 5-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carbaldehyde?
The InChIKey is GXVMYTSOGZFFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(2)16-9-12-3-5-13(6-4-12)15-8-7-14(10-17)18-15/h3-8,10-11,16H,9H2,1-2H3.
What are the key properties of 5-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carbaldehyde?
5-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carbaldehyde has a molecular weight of 243.31 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169332974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).