(1R)-1-(4-pent-3-ynoxyphenyl)propan-1-amine

C14H19NO — CID 104805218

IUPAC(1R)-1-(4-pent-3-ynoxyphenyl)propan-1-amine
SMILESCC#CCCOc1ccc([C@H](N)CC)cc1
InChIInChI=1S/C14H19NO/c1-3-5-6-11-16-13-9-7-12(8-10-13)14(15)4-2/h7-10,14H,4,6,11,15H2,1-2H3/t14-/m1/s1
InChIKeyCRAAKPLEWDFWFO-CQSZACIVSA-N
MW217.31 g/mol
LogP2.89
Rot. Bonds5

About (1R)-1-(4-pent-3-ynoxyphenyl)propan-1-amine

(1R)-1-(4-pent-3-ynoxyphenyl)propan-1-amine (PubChem CID 104805218) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (1R)-1-(4-pent-3-ynoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-pent-3-ynoxyphenyl)propan-1-amine
PubChem CID104805218
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(1R)-1-(4-pent-3-ynoxyphenyl)propan-1-amine
SMILESCC#CCCOc1ccc([C@H](N)CC)cc1
InChIInChI=1S/C14H19NO/c1-3-5-6-11-16-13-9-7-12(8-10-13)14(15)4-2/h7-10,14H,4,6,11,15H2,1-2H3/t14-/m1/s1
InChIKeyCRAAKPLEWDFWFO-CQSZACIVSA-N
XLogP2.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(1S)-1-(4-but-2-ynoxyphenyl)propan-1-amine
CID 63367698
(1S)-1-(4-pent-3-ynoxyphenyl)ethanamine
CID 104805177
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
4-[4-[(1S)-1-aminopropyl]phenoxy]butanenitrile
CID 63367725
5-[4-(1-aminopropyl)phenoxy]pentanenitrile
CID 54966257
1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024
(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine
CID 63367661
(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106450348
(1S)-1-(4-octoxyphenyl)propan-1-amine
CID 78944099
1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine
CID 65175902
(1R)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 103939568
(1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 113355509

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-pent-3-ynoxyphenyl)propan-1-amine?
The IUPAC name of (1R)-1-(4-pent-3-ynoxyphenyl)propan-1-amine (CID 104805218) is (1R)-1-(4-pent-3-ynoxyphenyl)propan-1-amine.
What is the SMILES notation for (1R)-1-(4-pent-3-ynoxyphenyl)propan-1-amine?
The canonical SMILES for (1R)-1-(4-pent-3-ynoxyphenyl)propan-1-amine is CC#CCCOc1ccc([C@H](N)CC)cc1.
What is the InChIKey of (1R)-1-(4-pent-3-ynoxyphenyl)propan-1-amine?
The InChIKey is CRAAKPLEWDFWFO-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-5-6-11-16-13-9-7-12(8-10-13)14(15)4-2/h7-10,14H,4,6,11,15H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-1-(4-pent-3-ynoxyphenyl)propan-1-amine?
(1R)-1-(4-pent-3-ynoxyphenyl)propan-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-pent-3-ynoxyphenyl)propan-1-amine is sourced from PubChem (CID 104805218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).