1-[3-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine

C18H19NO — CID 62339211

IUPAC1-[3-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(OCC#Cc2ccccc2)c1
InChIInChI=1S/C18H19NO/c1-15(19)13-17-9-5-11-18(14-17)20-12-6-10-16-7-3-2-4-8-16/h2-5,7-9,11,14-15H,12-13,19H2,1H3
InChIKeyFCRMPIXSURCWCR-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.01
Rot. Bonds4

About 1-[3-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine

1-[3-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine (PubChem CID 62339211) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[3-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine
PubChem CID62339211
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-[3-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(OCC#Cc2ccccc2)c1
InChIInChI=1S/C18H19NO/c1-15(19)13-17-9-5-11-18(14-17)20-12-6-10-16-7-3-2-4-8-16/h2-5,7-9,11,14-15H,12-13,19H2,1H3
InChIKeyFCRMPIXSURCWCR-UHFFFAOYSA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.01
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

1-[4-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine
CID 62338863
N-[[3-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine
CID 62339674
1-[4-(3-phenylprop-2-ynoxy)phenyl]ethanamine
CID 62340342
3-(3-phenylprop-2-ynoxy)benzonitrile
CID 62341053
1-chloro-3-(3-phenylprop-2-ynoxy)benzene
CID 64763813
1-[3-(2-methylpropoxy)phenyl]propan-2-amine
CID 60907864
1-[5-bromo-2-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine
CID 62339209
N-ethyl-1-[3-(3-phenylprop-2-ynoxy)phenyl]ethanamine
CID 62340346
1-(3-pent-3-ynoxyphenyl)propan-2-amine
CID 104807762
1-(3-phenoxyprop-1-ynyl)-4-propan-2-ylbenzene
CID 58591685
1-[3-(methoxymethoxy)phenyl]propan-2-amine
CID 55253645
1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine
CID 62699214

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine (CID 62339211) is 1-[3-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine is CC(N)Cc1cccc(OCC#Cc2ccccc2)c1.
What is the InChIKey of 1-[3-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine?
The InChIKey is FCRMPIXSURCWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-15(19)13-17-9-5-11-18(14-17)20-12-6-10-16-7-3-2-4-8-16/h2-5,7-9,11,14-15H,12-13,19H2,1H3.
What are the key properties of 1-[3-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine?
1-[3-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine has a molecular weight of 265.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine is sourced from PubChem (CID 62339211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).