(1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine

C12H17NO — CID 137320021

IUPAC(1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine
SMILESC=CCOc1ccccc1[C@H](C)NC
InChIInChI=1S/C12H17NO/c1-4-9-14-12-8-6-5-7-11(12)10(2)13-3/h4-8,10,13H,1,9H2,2-3H3/t10-/m0/s1
InChIKeyGOQFBPCNTYOZAM-JTQLQIEISA-N
MW191.27 g/mol
LogP2.53
Rot. Bonds5

About (1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine

(1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine (PubChem CID 137320021) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine
PubChem CID137320021
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine
SMILESC=CCOc1ccccc1[C@H](C)NC
InChIInChI=1S/C12H17NO/c1-4-9-14-12-8-6-5-7-11(12)10(2)13-3/h4-8,10,13H,1,9H2,2-3H3/t10-/m0/s1
InChIKeyGOQFBPCNTYOZAM-JTQLQIEISA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2-prop-2-enoxyphenyl)-N-methylethanamine
CID 102947422
2-[2-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylacetamide
CID 60882862
1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylethanamine
CID 106436811
N-methyl-1-(2-pent-3-ynoxyphenyl)ethanamine
CID 104804559
3-[2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 43279505
N,N-dimethyl-2-[2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279578
1-[[2-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208309
N-methyl-1-[2-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 43279574
2-[2-[1-(methylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489481
2-[[oxiran-2-yl-(2-prop-2-enoxyphenyl)methoxy]-(2-prop-2-enoxyphenyl)methyl]oxirane
CID 141319005
1-(2-prop-2-enoxyphenyl)propane-1,2,3-triol
CID 170819149
2-[1-(methylamino)ethyl]-N,N-bis(prop-2-enyl)aniline
CID 43283871

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine?
The IUPAC name of (1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine (CID 137320021) is (1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine?
The canonical SMILES for (1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine is C=CCOc1ccccc1[C@H](C)NC.
What is the InChIKey of (1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine?
The InChIKey is GOQFBPCNTYOZAM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO/c1-4-9-14-12-8-6-5-7-11(12)10(2)13-3/h4-8,10,13H,1,9H2,2-3H3/t10-/m0/s1.
What are the key properties of (1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine?
(1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine has a molecular weight of 191.27 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine is sourced from PubChem (CID 137320021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).