1-(4-chloro-2-methoxyphenyl)-N-ethylpent-4-yn-1-amine

C14H18ClNO — CID 115859214

IUPAC1-(4-chloro-2-methoxyphenyl)-N-ethylpent-4-yn-1-amine
SMILESC#CCCC(NCC)c1ccc(Cl)cc1OC
InChIInChI=1S/C14H18ClNO/c1-4-6-7-13(16-5-2)12-9-8-11(15)10-14(12)17-3/h1,8-10,13,16H,5-7H2,2-3H3
InChIKeyRCADOABQRZLRJX-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.41
Rot. Bonds6

About 1-(4-chloro-2-methoxyphenyl)-N-ethylpent-4-yn-1-amine

1-(4-chloro-2-methoxyphenyl)-N-ethylpent-4-yn-1-amine (PubChem CID 115859214) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-N-ethylpent-4-yn-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-N-ethylpent-4-yn-1-amine
PubChem CID115859214
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name1-(4-chloro-2-methoxyphenyl)-N-ethylpent-4-yn-1-amine
SMILESC#CCCC(NCC)c1ccc(Cl)cc1OC
InChIInChI=1S/C14H18ClNO/c1-4-6-7-13(16-5-2)12-9-8-11(15)10-14(12)17-3/h1,8-10,13,16H,5-7H2,2-3H3
InChIKeyRCADOABQRZLRJX-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.41
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-bromo-4-chlorophenyl)-N-ethylpent-4-yn-1-amine
CID 107993261
1-(4-chloro-2-methoxyphenyl)-N-ethylprop-2-yn-1-amine
CID 104995481
N-ethyl-1-(2,3,4-trimethoxyphenyl)pent-4-yn-1-amine
CID 115859372
1-(5-chloro-2-methoxyphenyl)-N-ethylbut-3-yn-1-amine
CID 114977581
1-(2-methoxy-4-methylphenyl)-N-methylpent-4-yn-1-amine
CID 106791784
1-(5-bromo-2-fluorophenyl)-N-ethylpent-4-yn-1-amine
CID 114894905
1-(5-chloro-2-methoxyphenyl)-N-ethylpent-4-en-1-amine
CID 104987543
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 105140924
1-(2,4-dimethoxyphenyl)-N-propylhex-5-yn-1-amine
CID 105034068
1-(4-chloro-2-methoxyphenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822270
1-(4-chloro-2-methoxyphenyl)-N-ethyl-3-methylbut-2-en-1-amine
CID 105004549
1-(2-bromo-5-methylphenyl)-N-ethylpent-4-yn-1-amine
CID 115859283

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-N-ethylpent-4-yn-1-amine?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-N-ethylpent-4-yn-1-amine (CID 115859214) is 1-(4-chloro-2-methoxyphenyl)-N-ethylpent-4-yn-1-amine.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-N-ethylpent-4-yn-1-amine?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-N-ethylpent-4-yn-1-amine is C#CCCC(NCC)c1ccc(Cl)cc1OC.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-N-ethylpent-4-yn-1-amine?
The InChIKey is RCADOABQRZLRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-4-6-7-13(16-5-2)12-9-8-11(15)10-14(12)17-3/h1,8-10,13,16H,5-7H2,2-3H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-N-ethylpent-4-yn-1-amine?
1-(4-chloro-2-methoxyphenyl)-N-ethylpent-4-yn-1-amine has a molecular weight of 251.76 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)-N-ethylpent-4-yn-1-amine is sourced from PubChem (CID 115859214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).