2-(4-methoxyphenyl)ethanamine;4-propoxybenzaldehyde

C19H25NO3 — CID 23291631

IUPAC2-(4-methoxyphenyl)ethanamine;4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)cc1.COc1ccc(CCN)cc1
InChIInChI=1S/C10H12O2.C9H13NO/c1-2-7-12-10-5-3-9(8-11)4-6-10;1-11-9-4-2-8(3-5-9)6-7-10/h3-6,8H,2,7H2,1H3;2-5H,6-7,10H2,1H3
InChIKeyZNRZQMOWBGCWNY-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.48
Rot. Bonds7

About 2-(4-methoxyphenyl)ethanamine;4-propoxybenzaldehyde

2-(4-methoxyphenyl)ethanamine;4-propoxybenzaldehyde (PubChem CID 23291631) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)ethanamine;4-propoxybenzaldehyde.

Molecular Properties

Compound Name2-(4-methoxyphenyl)ethanamine;4-propoxybenzaldehyde
PubChem CID23291631
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-(4-methoxyphenyl)ethanamine;4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)cc1.COc1ccc(CCN)cc1
InChIInChI=1S/C10H12O2.C9H13NO/c1-2-7-12-10-5-3-9(8-11)4-6-10;1-11-9-4-2-8(3-5-9)6-7-10/h3-6,8H,2,7H2,1H3;2-5H,6-7,10H2,1H3
InChIKeyZNRZQMOWBGCWNY-UHFFFAOYSA-N
XLogP3.48
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
4-[2-(4-methoxyphenyl)ethyl]benzaldehyde
CID 20510517
4-butoxybenzaldehyde;2-phenylacetic acid;2-phenylethanamine
CID 23291704
4-[4-(4-formylphenoxy)butyl]benzaldehyde
CID 87112127
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
2,5-diaminopentanoic acid;2-phenylacetic acid;2-phenylethanamine;4-propoxybenzaldehyde
CID 173277195
4-[2-(4-fluorophenyl)ethoxy]benzaldehyde
CID 87614238
propyl 2-(4-formylphenoxy)acetate
CID 17245126
4-icosoxybenzaldehyde
CID 23127488
1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 145063136
4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde
CID 58214212
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)ethanamine;4-propoxybenzaldehyde?
The IUPAC name of 2-(4-methoxyphenyl)ethanamine;4-propoxybenzaldehyde (CID 23291631) is 2-(4-methoxyphenyl)ethanamine;4-propoxybenzaldehyde.
What is the SMILES notation for 2-(4-methoxyphenyl)ethanamine;4-propoxybenzaldehyde?
The canonical SMILES for 2-(4-methoxyphenyl)ethanamine;4-propoxybenzaldehyde is CCCOc1ccc(C=O)cc1.COc1ccc(CCN)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)ethanamine;4-propoxybenzaldehyde?
The InChIKey is ZNRZQMOWBGCWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C9H13NO/c1-2-7-12-10-5-3-9(8-11)4-6-10;1-11-9-4-2-8(3-5-9)6-7-10/h3-6,8H,2,7H2,1H3;2-5H,6-7,10H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)ethanamine;4-propoxybenzaldehyde?
2-(4-methoxyphenyl)ethanamine;4-propoxybenzaldehyde has a molecular weight of 315.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)ethanamine;4-propoxybenzaldehyde is sourced from PubChem (CID 23291631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).