N-ethyl-1-(4-methoxy-3-methylphenyl)hex-5-yn-1-amine

C16H23NO — CID 113374381

IUPACN-ethyl-1-(4-methoxy-3-methylphenyl)hex-5-yn-1-amine
SMILESC#CCCCC(NCC)c1ccc(OC)c(C)c1
InChIInChI=1S/C16H23NO/c1-5-7-8-9-15(17-6-2)14-10-11-16(18-4)13(3)12-14/h1,10-12,15,17H,6-9H2,2-4H3
InChIKeyFBIPJSLPAGQUKO-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.46
Rot. Bonds7

About N-ethyl-1-(4-methoxy-3-methylphenyl)hex-5-yn-1-amine

N-ethyl-1-(4-methoxy-3-methylphenyl)hex-5-yn-1-amine (PubChem CID 113374381) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxy-3-methylphenyl)hex-5-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxy-3-methylphenyl)hex-5-yn-1-amine
PubChem CID113374381
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-ethyl-1-(4-methoxy-3-methylphenyl)hex-5-yn-1-amine
SMILESC#CCCCC(NCC)c1ccc(OC)c(C)c1
InChIInChI=1S/C16H23NO/c1-5-7-8-9-15(17-6-2)14-10-11-16(18-4)13(3)12-14/h1,10-12,15,17H,6-9H2,2-4H3
InChIKeyFBIPJSLPAGQUKO-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
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

1-(4-methoxy-3-methylphenyl)pent-4-ynylhydrazine
CID 105258378
N-ethyl-1-(3-methoxy-4-methylphenyl)but-3-yn-1-amine
CID 114977449
1-(3-fluoro-4-methoxyphenyl)-N-methylhex-5-yn-1-amine
CID 105033634
1-(4-methoxy-3-methylphenyl)pent-4-yn-1-ol
CID 63893974
1-(5-bromo-2-methylphenyl)-N-ethylhex-5-yn-1-amine
CID 105033738
1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487418
N-ethyl-1-(4-methoxy-3-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 43493617
1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine
CID 43488519
1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 105141191
1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine
CID 83161919
N-ethyl-1-(5-methyl-3-pyridinyl)hex-5-yn-1-amine
CID 105179743
1-(3-bromo-5-methylphenyl)-N-ethylhex-5-yn-1-amine
CID 105033647

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxy-3-methylphenyl)hex-5-yn-1-amine?
The IUPAC name of N-ethyl-1-(4-methoxy-3-methylphenyl)hex-5-yn-1-amine (CID 113374381) is N-ethyl-1-(4-methoxy-3-methylphenyl)hex-5-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methoxy-3-methylphenyl)hex-5-yn-1-amine?
The canonical SMILES for N-ethyl-1-(4-methoxy-3-methylphenyl)hex-5-yn-1-amine is C#CCCCC(NCC)c1ccc(OC)c(C)c1.
What is the InChIKey of N-ethyl-1-(4-methoxy-3-methylphenyl)hex-5-yn-1-amine?
The InChIKey is FBIPJSLPAGQUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-5-7-8-9-15(17-6-2)14-10-11-16(18-4)13(3)12-14/h1,10-12,15,17H,6-9H2,2-4H3.
What are the key properties of N-ethyl-1-(4-methoxy-3-methylphenyl)hex-5-yn-1-amine?
N-ethyl-1-(4-methoxy-3-methylphenyl)hex-5-yn-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxy-3-methylphenyl)hex-5-yn-1-amine is sourced from PubChem (CID 113374381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).