1-(2,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine

C16H23NO2 — CID 105037382

IUPAC1-(2,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine
SMILESCC#CCCC(NCC)c1cc(OC)ccc1OC
InChIInChI=1S/C16H23NO2/c1-5-7-8-9-15(17-6-2)14-12-13(18-3)10-11-16(14)19-4/h10-12,15,17H,6,8-9H2,1-4H3
InChIKeyGVNWCCLDDNZWJJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.16
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine

1-(2,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine (PubChem CID 105037382) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine
PubChem CID105037382
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(2,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine
SMILESCC#CCCC(NCC)c1cc(OC)ccc1OC
InChIInChI=1S/C16H23NO2/c1-5-7-8-9-15(17-6-2)14-12-13(18-3)10-11-16(14)19-4/h10-12,15,17H,6,8-9H2,1-4H3
InChIKeyGVNWCCLDDNZWJJ-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
1-(2,5-dimethoxyphenyl)-N-pent-3-ynylethane-1,2-diamine
CID 116643369
N-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine
CID 104804297
2-tert-butylsulfanyl-1-(2,5-dimethoxyphenyl)-N-ethylethanamine
CID 64614286
1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine
CID 113455163
1-(2,5-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62801169
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine
CID 116715821
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine
CID 104804947
1-(2-bromo-5-methoxyphenyl)hex-4-yn-1-amine
CID 105181442
1-(2,5-dibromophenyl)-N-ethylhex-4-yn-1-amine
CID 105037425
N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148384

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine (CID 105037382) is 1-(2,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine is CC#CCCC(NCC)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine?
The InChIKey is GVNWCCLDDNZWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-7-8-9-15(17-6-2)14-12-13(18-3)10-11-16(14)19-4/h10-12,15,17H,6,8-9H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine?
1-(2,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine has a molecular weight of 261.37 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine is sourced from PubChem (CID 105037382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).