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

C11H13NO — CID 63367592

IUPAC(1R)-1-(4-prop-2-ynoxyphenyl)ethanamine
SMILESC#CCOc1ccc([C@@H](C)N)cc1
InChIInChI=1S/C11H13NO/c1-3-8-13-11-6-4-10(5-7-11)9(2)12/h1,4-7,9H,8,12H2,2H3/t9-/m1/s1
InChIKeyMYDMTUHTAHHVRU-SECBINFHSA-N
MW175.23 g/mol
LogP1.72
Rot. Bonds3

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

(1R)-1-(4-prop-2-ynoxyphenyl)ethanamine (PubChem CID 63367592) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (1R)-1-(4-prop-2-ynoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-prop-2-ynoxyphenyl)ethanamine
PubChem CID63367592
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(1R)-1-(4-prop-2-ynoxyphenyl)ethanamine
SMILESC#CCOc1ccc([C@@H](C)N)cc1
InChIInChI=1S/C11H13NO/c1-3-8-13-11-6-4-10(5-7-11)9(2)12/h1,4-7,9H,8,12H2,2H3/t9-/m1/s1
InChIKeyMYDMTUHTAHHVRU-SECBINFHSA-N
XLogP1.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(4-but-2-ynoxyphenyl)ethanamine
CID 63367525
bis(4-prop-2-ynoxyphenyl)methanol
CID 102483655
1-[4-(3-phenylprop-2-ynoxy)phenyl]ethanamine
CID 62340342
1-ethoxy-4-prop-2-ynoxybenzene
CID 20701293
(1R)-1-(4-prop-2-enoxyphenyl)ethanamine
CID 63367601
(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 79009249
(1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine
CID 80699771
1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43189064
1-[4-(3-phenoxypropoxy)phenyl]ethanamine
CID 13012117
(1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine
CID 78960972
1-(5-prop-2-ynoxy-2-pyridinyl)propan-2-amine
CID 79799433
1-(4-prop-2-ynoxyphenyl)propane-1,2,3-triol
CID 170819150

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-prop-2-ynoxyphenyl)ethanamine?
The IUPAC name of (1R)-1-(4-prop-2-ynoxyphenyl)ethanamine (CID 63367592) is (1R)-1-(4-prop-2-ynoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(4-prop-2-ynoxyphenyl)ethanamine?
The canonical SMILES for (1R)-1-(4-prop-2-ynoxyphenyl)ethanamine is C#CCOc1ccc([C@@H](C)N)cc1.
What is the InChIKey of (1R)-1-(4-prop-2-ynoxyphenyl)ethanamine?
The InChIKey is MYDMTUHTAHHVRU-SECBINFHSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-8-13-11-6-4-10(5-7-11)9(2)12/h1,4-7,9H,8,12H2,2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(4-prop-2-ynoxyphenyl)ethanamine?
(1R)-1-(4-prop-2-ynoxyphenyl)ethanamine has a molecular weight of 175.23 g/mol, XLogP of 1.72, 3 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-ynoxyphenyl)ethanamine is sourced from PubChem (CID 63367592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).