(1R)-1-(3-methoxy-4-pent-4-ynoxyphenyl)ethanamine

C14H19NO2 — CID 113374141

IUPAC(1R)-1-(3-methoxy-4-pent-4-ynoxyphenyl)ethanamine
SMILESC#CCCCOc1ccc([C@@H](C)N)cc1OC
InChIInChI=1S/C14H19NO2/c1-4-5-6-9-17-13-8-7-12(11(2)15)10-14(13)16-3/h1,7-8,10-11H,5-6,9,15H2,2-3H3/t11-/m1/s1
InChIKeyWBGVVLBZIQKIMO-LLVKDONJSA-N
MW233.31 g/mol
LogP2.51
Rot. Bonds6

About (1R)-1-(3-methoxy-4-pent-4-ynoxyphenyl)ethanamine

(1R)-1-(3-methoxy-4-pent-4-ynoxyphenyl)ethanamine (PubChem CID 113374141) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (1R)-1-(3-methoxy-4-pent-4-ynoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-methoxy-4-pent-4-ynoxyphenyl)ethanamine
PubChem CID113374141
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(1R)-1-(3-methoxy-4-pent-4-ynoxyphenyl)ethanamine
SMILESC#CCCCOc1ccc([C@@H](C)N)cc1OC
InChIInChI=1S/C14H19NO2/c1-4-5-6-9-17-13-8-7-12(11(2)15)10-14(13)16-3/h1,7-8,10-11H,5-6,9,15H2,2-3H3/t11-/m1/s1
InChIKeyWBGVVLBZIQKIMO-LLVKDONJSA-N
XLogP2.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(1-aminoethyl)-2-methoxyphenoxy]pentanenitrile
CID 54966259
1-(3-methoxy-4-nonoxyphenyl)ethanamine
CID 43129036
(1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine
CID 80699992
(1R)-1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 103939561
(1S)-1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 78936711
1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine
CID 60881368
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine
CID 113374151
1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 50896740
(1S)-1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 78932669
4-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanenitrile
CID 55189697
4-[4-(1-hydroxyethyl)-2-methoxyphenoxy]butanenitrile
CID 43503833

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methoxy-4-pent-4-ynoxyphenyl)ethanamine?
The IUPAC name of (1R)-1-(3-methoxy-4-pent-4-ynoxyphenyl)ethanamine (CID 113374141) is (1R)-1-(3-methoxy-4-pent-4-ynoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-methoxy-4-pent-4-ynoxyphenyl)ethanamine?
The canonical SMILES for (1R)-1-(3-methoxy-4-pent-4-ynoxyphenyl)ethanamine is C#CCCCOc1ccc([C@@H](C)N)cc1OC.
What is the InChIKey of (1R)-1-(3-methoxy-4-pent-4-ynoxyphenyl)ethanamine?
The InChIKey is WBGVVLBZIQKIMO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-5-6-9-17-13-8-7-12(11(2)15)10-14(13)16-3/h1,7-8,10-11H,5-6,9,15H2,2-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-(3-methoxy-4-pent-4-ynoxyphenyl)ethanamine?
(1R)-1-(3-methoxy-4-pent-4-ynoxyphenyl)ethanamine has a molecular weight of 233.31 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methoxy-4-pent-4-ynoxyphenyl)ethanamine is sourced from PubChem (CID 113374141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).