1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine

C16H23NO — CID 113455163

IUPAC1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine
SMILESCC#CCCC(NCCC)c1ccccc1OC
InChIInChI=1S/C16H23NO/c1-4-6-7-11-15(17-13-5-2)14-10-8-9-12-16(14)18-3/h8-10,12,15,17H,5,7,11,13H2,1-3H3
InChIKeySXTRRIXZZXIXQE-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.54
Rot. Bonds7

About 1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine

1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine (PubChem CID 113455163) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine
PubChem CID113455163
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine
SMILESCC#CCCC(NCCC)c1ccccc1OC
InChIInChI=1S/C16H23NO/c1-4-6-7-11-15(17-13-5-2)14-10-8-9-12-16(14)18-3/h8-10,12,15,17H,5,7,11,13H2,1-3H3
InChIKeySXTRRIXZZXIXQE-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.54
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-(2-methoxyphenyl)hex-4-ynylhydrazine
CID 105191206
1-(2-fluoro-6-methoxyphenyl)-N-propylhex-4-yn-1-amine
CID 104806958
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474078
3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 115792780
1-(1-benzothiophen-3-yl)-N-propylhex-4-yn-1-amine
CID 105037075
1-(2-ethoxyphenyl)hex-4-ynylhydrazine
CID 105260784
1-(6-methoxypyridazin-3-yl)-N-propylhex-4-yn-1-amine
CID 103374819
1-(2,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine
CID 105037382
1-(2-ethoxyphenyl)-N-propylpentan-1-amine
CID 79411524
3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine
CID 104659966
1-(2,3-dimethoxyphenyl)-N-propylpentan-1-amine
CID 105125511

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine (CID 113455163) is 1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine is CC#CCCC(NCCC)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine?
The InChIKey is SXTRRIXZZXIXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-6-7-11-15(17-13-5-2)14-10-8-9-12-16(14)18-3/h8-10,12,15,17H,5,7,11,13H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine?
1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine is sourced from PubChem (CID 113455163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).