(1R)-1-(4-prop-2-enoxyphenyl)ethanamine

C11H15NO — CID 63367601

IUPAC(1R)-1-(4-prop-2-enoxyphenyl)ethanamine
SMILESC=CCOc1ccc([C@@H](C)N)cc1
InChIInChI=1S/C11H15NO/c1-3-8-13-11-6-4-10(5-7-11)9(2)12/h3-7,9H,1,8,12H2,2H3/t9-/m1/s1
InChIKeyJIMKMFGUDNBJAR-SECBINFHSA-N
MW177.25 g/mol
LogP2.27
Rot. Bonds4

About (1R)-1-(4-prop-2-enoxyphenyl)ethanamine

(1R)-1-(4-prop-2-enoxyphenyl)ethanamine (PubChem CID 63367601) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (1R)-1-(4-prop-2-enoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-prop-2-enoxyphenyl)ethanamine
PubChem CID63367601
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(1R)-1-(4-prop-2-enoxyphenyl)ethanamine
SMILESC=CCOc1ccc([C@@H](C)N)cc1
InChIInChI=1S/C11H15NO/c1-3-8-13-11-6-4-10(5-7-11)9(2)12/h3-7,9H,1,8,12H2,2H3/t9-/m1/s1
InChIKeyJIMKMFGUDNBJAR-SECBINFHSA-N
XLogP2.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.27
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-hept-6-enoxyphenyl)ethanamine
CID 107006007
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 78932793
(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 79009249
(1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine
CID 80699771
1-(2,2-dimethylpentan-3-yl)-4-prop-2-enoxybenzene
CID 143199610
1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43189064
(1R)-1-(4-prop-2-ynoxyphenyl)ethanamine
CID 63367592
1-[4-(3-phenoxypropoxy)phenyl]ethanamine
CID 13012117
4-[1,2,2-tris(4-prop-2-enoxyphenyl)ethyl]phenol
CID 118013728
(1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine
CID 78960972
2,3-dibromo-3-(4-prop-2-enoxyphenyl)propan-1-amine
CID 134575639
(1R)-1-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine
CID 79168187

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-prop-2-enoxyphenyl)ethanamine?
The IUPAC name of (1R)-1-(4-prop-2-enoxyphenyl)ethanamine (CID 63367601) is (1R)-1-(4-prop-2-enoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(4-prop-2-enoxyphenyl)ethanamine?
The canonical SMILES for (1R)-1-(4-prop-2-enoxyphenyl)ethanamine is C=CCOc1ccc([C@@H](C)N)cc1.
What is the InChIKey of (1R)-1-(4-prop-2-enoxyphenyl)ethanamine?
The InChIKey is JIMKMFGUDNBJAR-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-8-13-11-6-4-10(5-7-11)9(2)12/h3-7,9H,1,8,12H2,2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(4-prop-2-enoxyphenyl)ethanamine?
(1R)-1-(4-prop-2-enoxyphenyl)ethanamine has a molecular weight of 177.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-prop-2-enoxyphenyl)ethanamine is sourced from PubChem (CID 63367601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).