N-[(3-prop-2-enoxyphenyl)methyl]prop-2-en-1-amine

C13H17NO — CID 54849975

IUPACN-[(3-prop-2-enoxyphenyl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1cccc(OCC=C)c1
InChIInChI=1S/C13H17NO/c1-3-8-14-11-12-6-5-7-13(10-12)15-9-4-2/h3-7,10,14H,1-2,8-9,11H2
InChIKeyMQBAPBBYJKURSI-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.53
Rot. Bonds7

About N-[(3-prop-2-enoxyphenyl)methyl]prop-2-en-1-amine

N-[(3-prop-2-enoxyphenyl)methyl]prop-2-en-1-amine (PubChem CID 54849975) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-[(3-prop-2-enoxyphenyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(3-prop-2-enoxyphenyl)methyl]prop-2-en-1-amine
PubChem CID54849975
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-[(3-prop-2-enoxyphenyl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1cccc(OCC=C)c1
InChIInChI=1S/C13H17NO/c1-3-8-14-11-12-6-5-7-13(10-12)15-9-4-2/h3-7,10,14H,1-2,8-9,11H2
InChIKeyMQBAPBBYJKURSI-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-prop-2-enoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride
CID 163327937
1-prop-2-enoxy-3-prop-2-enylbenzene
CID 67362226
N-[[3-(chloromethyl)phenyl]methyl]prop-2-en-1-amine
CID 65024541
N-[(3-bromophenyl)methyl]prop-2-en-1-amine
CID 4717920
2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 60882038
N-[[3-(difluoromethyl)phenyl]methyl]prop-2-en-1-amine
CID 115525877
N-[(3-ethoxyphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527853
(3-prop-2-enoxyphenyl)azanium
CID 59822882
N-[[3-[(E)-but-2-enoxy]phenyl]methyl]propan-1-amine
CID 60883169
N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797296
N-(pyridin-3-ylmethyl)prop-2-en-1-amine
CID 4717881
2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63056746

Frequently Asked Questions

What is the IUPAC name of N-[(3-prop-2-enoxyphenyl)methyl]prop-2-en-1-amine?
The IUPAC name of N-[(3-prop-2-enoxyphenyl)methyl]prop-2-en-1-amine (CID 54849975) is N-[(3-prop-2-enoxyphenyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[(3-prop-2-enoxyphenyl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-[(3-prop-2-enoxyphenyl)methyl]prop-2-en-1-amine is C=CCNCc1cccc(OCC=C)c1.
What is the InChIKey of N-[(3-prop-2-enoxyphenyl)methyl]prop-2-en-1-amine?
The InChIKey is MQBAPBBYJKURSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-8-14-11-12-6-5-7-13(10-12)15-9-4-2/h3-7,10,14H,1-2,8-9,11H2.
What are the key properties of N-[(3-prop-2-enoxyphenyl)methyl]prop-2-en-1-amine?
N-[(3-prop-2-enoxyphenyl)methyl]prop-2-en-1-amine has a molecular weight of 203.28 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-prop-2-enoxyphenyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 54849975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).