2-[(4-methoxyphenyl)methylamino]-3-(2-methylidenecyclopropyl)propanal

C15H19NO2 — CID 88983748

IUPAC2-[(4-methoxyphenyl)methylamino]-3-(2-methylidenecyclopropyl)propanal
SMILESC=C1CC1CC(C=O)NCc1ccc(OC)cc1
InChIInChI=1S/C15H19NO2/c1-11-7-13(11)8-14(10-17)16-9-12-3-5-15(18-2)6-4-12/h3-6,10,13-14,16H,1,7-9H2,2H3
InChIKeyMJBATWJQILYHLK-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.32
Rot. Bonds7

About 2-[(4-methoxyphenyl)methylamino]-3-(2-methylidenecyclopropyl)propanal

2-[(4-methoxyphenyl)methylamino]-3-(2-methylidenecyclopropyl)propanal (PubChem CID 88983748) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylamino]-3-(2-methylidenecyclopropyl)propanal.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylamino]-3-(2-methylidenecyclopropyl)propanal
PubChem CID88983748
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[(4-methoxyphenyl)methylamino]-3-(2-methylidenecyclopropyl)propanal
SMILESC=C1CC1CC(C=O)NCc1ccc(OC)cc1
InChIInChI=1S/C15H19NO2/c1-11-7-13(11)8-14(10-17)16-9-12-3-5-15(18-2)6-4-12/h3-6,10,13-14,16H,1,7-9H2,2H3
InChIKeyMJBATWJQILYHLK-UHFFFAOYSA-N
XLogP2.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(4-methoxyphenyl)methylamino]propanal
CID 151027433
(2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine
CID 130367202
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
methyl 2-[(4-methoxyphenyl)methylamino]propanoate
CID 60780821
ethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine
CID 142914034
[4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-methylideneoxidanium
CID 22965611
(2R)-2-[(4-methoxyphenyl)methoxy]propanal
CID 11138009
N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 17291776
1-[(4-methoxyphenyl)methylamino]ethanesulfinic acid
CID 174954701
ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid
CID 91562631
2-cyclopropyl-3-(4-methoxyphenyl)propanal
CID 83832511
2-[(4-methoxyphenyl)methylamino]ethanethiol
CID 14306201

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylamino]-3-(2-methylidenecyclopropyl)propanal?
The IUPAC name of 2-[(4-methoxyphenyl)methylamino]-3-(2-methylidenecyclopropyl)propanal (CID 88983748) is 2-[(4-methoxyphenyl)methylamino]-3-(2-methylidenecyclopropyl)propanal.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylamino]-3-(2-methylidenecyclopropyl)propanal?
The canonical SMILES for 2-[(4-methoxyphenyl)methylamino]-3-(2-methylidenecyclopropyl)propanal is C=C1CC1CC(C=O)NCc1ccc(OC)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylamino]-3-(2-methylidenecyclopropyl)propanal?
The InChIKey is MJBATWJQILYHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11-7-13(11)8-14(10-17)16-9-12-3-5-15(18-2)6-4-12/h3-6,10,13-14,16H,1,7-9H2,2H3.
What are the key properties of 2-[(4-methoxyphenyl)methylamino]-3-(2-methylidenecyclopropyl)propanal?
2-[(4-methoxyphenyl)methylamino]-3-(2-methylidenecyclopropyl)propanal has a molecular weight of 245.32 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylamino]-3-(2-methylidenecyclopropyl)propanal is sourced from PubChem (CID 88983748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).