N-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine

C15H21NO — CID 104804297

IUPACN-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine
SMILESCC#CCCC(NCC)c1ccc(OC)cc1
InChIInChI=1S/C15H21NO/c1-4-6-7-8-15(16-5-2)13-9-11-14(17-3)12-10-13/h9-12,15-16H,5,7-8H2,1-3H3
InChIKeyCHVXVBWRQNJREY-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.15
Rot. Bonds6

About N-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine

N-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine (PubChem CID 104804297) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine
PubChem CID104804297
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine
SMILESCC#CCCC(NCC)c1ccc(OC)cc1
InChIInChI=1S/C15H21NO/c1-4-6-7-8-15(16-5-2)13-9-11-14(17-3)12-10-13/h9-12,15-16H,5,7-8H2,1-3H3
InChIKeyCHVXVBWRQNJREY-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine
CID 105037382
N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine
CID 64567410
N-ethyl-1-(6-methoxypyridazin-3-yl)hex-4-yn-1-amine
CID 103374605
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine
CID 104804947
1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
CID 43488978
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylhex-4-yn-1-amine
CID 105037417
1-(4-chloro-3-fluorophenyl)-N-ethylhex-4-yn-1-amine
CID 107995179
methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65235012
1-(4-butoxyphenyl)-N-methylhex-4-yn-1-amine
CID 105181567
N-ethyl-1-(3-iodophenyl)hex-4-yn-1-amine
CID 105037510
1-(4-butoxyphenyl)-N-ethylpent-3-yn-1-amine
CID 105111943
N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774226

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine?
The IUPAC name of N-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine (CID 104804297) is N-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine?
The canonical SMILES for N-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine is CC#CCCC(NCC)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine?
The InChIKey is CHVXVBWRQNJREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-6-7-8-15(16-5-2)13-9-11-14(17-3)12-10-13/h9-12,15-16H,5,7-8H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine?
N-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine has a molecular weight of 231.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine is sourced from PubChem (CID 104804297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).