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

C14H16N2O — CID 79090979

IUPACN-[(2-prop-2-enoxyphenyl)methyl]pyrrol-1-amine
SMILESC=CCOc1ccccc1CNn1cccc1
InChIInChI=1S/C14H16N2O/c1-2-11-17-14-8-4-3-7-13(14)12-15-16-9-5-6-10-16/h2-10,15H,1,11-12H2
InChIKeyOPRZFXXGRCHKRQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.80
Rot. Bonds6

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

N-[(2-prop-2-enoxyphenyl)methyl]pyrrol-1-amine (PubChem CID 79090979) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is N-[(2-prop-2-enoxyphenyl)methyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[(2-prop-2-enoxyphenyl)methyl]pyrrol-1-amine
PubChem CID79090979
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC NameN-[(2-prop-2-enoxyphenyl)methyl]pyrrol-1-amine
SMILESC=CCOc1ccccc1CNn1cccc1
InChIInChI=1S/C14H16N2O/c1-2-11-17-14-8-4-3-7-13(14)12-15-16-9-5-6-10-16/h2-10,15H,1,11-12H2
InChIKeyOPRZFXXGRCHKRQ-UHFFFAOYSA-N
XLogP2.80
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309
N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 43221042
1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene
CID 102306683
(2-prop-2-enoxyphenyl)methanol
CID 11137475
N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine
CID 115866301
2,6-dichloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 65467216
2-iodo-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 43773432
2-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propane-1,3-diol
CID 7935968

Frequently Asked Questions

What is the IUPAC name of N-[(2-prop-2-enoxyphenyl)methyl]pyrrol-1-amine?
The IUPAC name of N-[(2-prop-2-enoxyphenyl)methyl]pyrrol-1-amine (CID 79090979) is N-[(2-prop-2-enoxyphenyl)methyl]pyrrol-1-amine.
What is the SMILES notation for N-[(2-prop-2-enoxyphenyl)methyl]pyrrol-1-amine?
The canonical SMILES for N-[(2-prop-2-enoxyphenyl)methyl]pyrrol-1-amine is C=CCOc1ccccc1CNn1cccc1.
What is the InChIKey of N-[(2-prop-2-enoxyphenyl)methyl]pyrrol-1-amine?
The InChIKey is OPRZFXXGRCHKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-11-17-14-8-4-3-7-13(14)12-15-16-9-5-6-10-16/h2-10,15H,1,11-12H2.
What are the key properties of N-[(2-prop-2-enoxyphenyl)methyl]pyrrol-1-amine?
N-[(2-prop-2-enoxyphenyl)methyl]pyrrol-1-amine has a molecular weight of 228.29 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-prop-2-enoxyphenyl)methyl]pyrrol-1-amine is sourced from PubChem (CID 79090979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).