3-[4-(aminomethyl)phenyl]prop-2-enal

C10H11NO — CID 151004676

IUPAC3-[4-(aminomethyl)phenyl]prop-2-enal
SMILESNCc1ccc(C=CC=O)cc1
InChIInChI=1S/C10H11NO/c11-8-10-5-3-9(4-6-10)2-1-7-12/h1-7H,8,11H2
InChIKeyLUVLTSHBOSBNMD-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.36
Rot. Bonds3

About 3-[4-(aminomethyl)phenyl]prop-2-enal

3-[4-(aminomethyl)phenyl]prop-2-enal (PubChem CID 151004676) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-[4-(aminomethyl)phenyl]prop-2-enal.

Molecular Properties

Compound Name3-[4-(aminomethyl)phenyl]prop-2-enal
PubChem CID151004676
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-[4-(aminomethyl)phenyl]prop-2-enal
SMILESNCc1ccc(C=CC=O)cc1
InChIInChI=1S/C10H11NO/c11-8-10-5-3-9(4-6-10)2-1-7-12/h1-7H,8,11H2
InChIKeyLUVLTSHBOSBNMD-UHFFFAOYSA-N
XLogP1.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-[(1E,3E,5E)-6-[4-[(E)-3-oxoprop-1-enyl]phenyl]hexa-1,3,5-trienyl]phenyl]prop-2-enal
CID 10427370
3-[4-(methoxymethyl)phenyl]prop-2-enal
CID 79330682
[4-(2-iodoethenyl)phenyl]methanamine
CID 174758565
3-(4-butylphenyl)prop-2-enal
CID 20981088
methanol;(E)-3-(4-propylphenyl)prop-2-enal
CID 143472715
(Z)-3-(4-hydroxyphenyl)prop-2-enal
CID 57400876
3-(4-phosphanylphenyl)prop-2-enal
CID 142052620
(E)-3-(4-phosphanylphenyl)prop-2-enal
CID 90084766
[4-(3-chloroprop-1-enyl)phenyl]methanamine
CID 169477052
3-[4-(aminomethyl)phenyl]prop-2-enoic acid;hydrochloride
CID 68848924
3-[4-(aminomethyl)phenyl]prop-2-ene-1-sulfonamide
CID 174751962
4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine
CID 170495473

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)phenyl]prop-2-enal?
The IUPAC name of 3-[4-(aminomethyl)phenyl]prop-2-enal (CID 151004676) is 3-[4-(aminomethyl)phenyl]prop-2-enal.
What is the SMILES notation for 3-[4-(aminomethyl)phenyl]prop-2-enal?
The canonical SMILES for 3-[4-(aminomethyl)phenyl]prop-2-enal is NCc1ccc(C=CC=O)cc1.
What is the InChIKey of 3-[4-(aminomethyl)phenyl]prop-2-enal?
The InChIKey is LUVLTSHBOSBNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c11-8-10-5-3-9(4-6-10)2-1-7-12/h1-7H,8,11H2.
What are the key properties of 3-[4-(aminomethyl)phenyl]prop-2-enal?
3-[4-(aminomethyl)phenyl]prop-2-enal has a molecular weight of 161.20 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)phenyl]prop-2-enal is sourced from PubChem (CID 151004676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).